addie-uniprot-hits/rhea_unclassified_unique_ec4_candidates.tsv
2026-07-10 11:56:34 +02:00

216 KiB

1rankrhea_master_idrhea_idsdirectionsrhea_ecspredicted_ec4spredicted_ec3shit_counthit_rule_counthit_rule_size_minhit_rule_size_maxbest_match_level_to_rhea_ecbuckettop_mcsa_sog_idstop_mcsa_entriestop_mcsa_ecstop_sog_sizestop_event_signaturesexpected_amino_acids_removed_catalystexpected_amino_acids_overlayexpected_amino_acids_all_mcsa_entrytop_sog_reactionsexample_rhea_smiles
216292062921; 62922LR; RL4.2.1.464.2.1881113unclassified_unique_ec4MCSA_228_1_0; MCSA_228_1_2; MCSA_228_2_0; MCSA_228_2_2; MCSA_228_1_12284.2.1.4613; 11chg:C~O:->=,del:C~O:-Asp135; Glu136; Tyr160Asp135; Glu136; Tyr160Asp135; Glu136; Lys164; Thr134; Tyr160dTDP-alpha-D-glucose(2-) -> water + dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](OC(O)CCO)[C@H](O)C1=C>>[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](O)[C@H](O)C1=C.[H]C(=O)CCO
321745717458; 17459LR; RL2.8.1.72.8.1111212unclassified_unique_ec4MCSA_855_1_18552.8.1.712add:S~S:-,del:C~S:-His123; Lys226Cys364; His123; Lys226Asp200; Cys364; Gln203; His123; Lys226L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue*N[C@@H](CS)C(*)=O.[NH3+][C@@H](CS)C(=O)[O-]>>*N[C@@H](CSS)C(*)=O.C[C@H]([NH3+])C(=O)[O-]
437854378544; 78545LR; RL2.8.1.72.8.1111212unclassified_unique_ec4MCSA_855_1_18552.8.1.712add:S~S:-,del:C~S:-His123; Lys226Cys364; His123; Lys226Asp200; Cys364; Gln203; His123; Lys226L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue[NH3+][C@@H](CS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>[NH3+][C@@H](CSS)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
547862778628; 78629LR; RL2.8.1.72.8.1111212unclassified_unique_ec4MCSA_855_1_18552.8.1.712add:S~S:-,del:C~S:-His123; Lys226Cys364; His123; Lys226Asp200; Cys364; Gln203; His123; Lys226L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue[NH3+][C@@H](CSS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>[NH3+][C@@H](CSSS)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
653124731248; 31249LR; RL1.1.2.101.1.2331212unclassified_unique_ec4MCSA_997_1_0; MCSA_997_2_0; MCSA_997_3_09971.1.2.1012chg:C~C:->=,chg:C~O:->=,chg:C~O:=>-,chg:C~O:=>-Asn256; Asp299; Asp301; Glu172Asn256; Asp299; Asp301; Glu172Asn256; Asp299; Asp301; Glu172methanol + pyrroloquinoline quinone -> formaldehyde + pyrroloquinoline quinolC#CCO.O=C([O-])C1=CC2=C(N1)C1=C(\N=C(C(=O)[O-])\C=C/1C(=O)[O-])C(=O)C2=O>>C#CC=O.O=C([O-])C1=CC2=C(N1)C1=C(N=C(C(=O)[O-])C=C1C(=O)[O-])/C([O-])=C\2O.[H+]
763126331264; 31265LR; RL1.1.2.101.1.2331212unclassified_unique_ec4MCSA_997_1_0; MCSA_997_2_0; MCSA_997_3_09971.1.2.1012chg:C~C:->=,chg:C~O:->=,chg:C~O:=>-,chg:C~O:=>-Asn256; Asp299; Asp301; Glu172Asn256; Asp299; Asp301; Glu172Asn256; Asp299; Asp301; Glu172methanol + pyrroloquinoline quinone -> formaldehyde + pyrroloquinoline quinolC#CCCO.O=C([O-])C1=CC2=C(N1)C1=C(\N=C(C(=O)[O-])\C=C/1C(=O)[O-])C(=O)C2=O>>[H]C(=O)CC#C.O=C([O-])C1=CC2=C(N1)C1=C(N=C(C(=O)[O-])C=C1C(=O)[O-])/C([O-])=C\2O.[H+]
872805828059; 28060LR; RL5.3.1.145.3.1221011unclassified_unique_ec4MCSA_488_2_0; MCSA_488_1_24885.3.1.1411; 10chg:C~O:->=,del:C~O:-Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193L-rhamnopyranose -> L-rhamnuloseOC1OC[C@H](O)[C@@H](O)[C@H]1O>>O=C(CO)[C@H](O)[C@@H](O)CO
986129661297; 61298LR; RL5.3.1.145.3.1221011unclassified_unique_ec4MCSA_488_2_0; MCSA_488_1_24885.3.1.1411; 10chg:C~O:->=,del:C~O:-Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193L-rhamnopyranose -> L-rhamnuloseC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O>>C[C@@H](O)[C@@H](O)C(=O)COP(=O)([O-])[O-]
1097125171252; 71253LR; RL5.3.1.145.3.1221011unclassified_unique_ec4MCSA_488_2_0; MCSA_488_1_24885.3.1.1411; 10chg:C~O:->=,del:C~O:-Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193L-rhamnopyranose -> L-rhamnuloseOC1OC[C@H](O)[C@@H](O)[C@@H]1O>>O=C(CO)[C@H](O)[C@@H](O)CO
11102800228003; 28004LR; RL4.1.2.134.1.2331111unclassified_unique_ec4MCSA_222_1_0; MCSA_222_1_40; MCSA_52_1_0222; 524.1.2.1311add:C~C:-,add:C~O:-,chg:C~O:=>-,chg:C~O:=>-Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264Asp33; Glu187; Glu189; Lys146; Lys229; Ser300; Tyr363; Asn286; Asp109; Glu182; His110; His226; His264D-glyceraldehyde 3-phosphate(2-) + glycerone phosphate(2-) -> D-fructofuranose 1,6-bisphosphate(4-)O=C(CO)CO.[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
12113085130852; 30853LR; RL4.1.2.134.1.2331111unclassified_unique_ec4MCSA_222_1_0; MCSA_222_1_40; MCSA_52_1_0222; 524.1.2.1311add:C~C:-,add:C~O:-,chg:C~O:=>-,chg:C~O:=>-Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264Asp33; Glu187; Glu189; Lys146; Lys229; Ser300; Tyr363; Asn286; Asp109; Glu182; His110; His226; His264D-glyceraldehyde 3-phosphate(2-) + glycerone phosphate(2-) -> D-fructofuranose 1,6-bisphosphate(4-)[H]C(=O)[C@H](O)CO.O=C(CO)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
13124632846329; 46330LR; RL4.3.1.174.3.11010911unclassified_unique_ec4MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2186; 9564.3.1.1711; 10add:C~O:=,del:C~N:-,del:C~O:-Lys41; Lys57Lys41; Lys57Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate[NH3+][C@H](C(=O)[O-])[C@@H](O)C1=CC=CC=C1>>O=C([O-])C(=O)CC1=CC=CC=C1.[H][N+]([H])([H])[H]
14135861658617; 58618LR; RL4.3.1.174.3.11010911unclassified_unique_ec4MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2186; 9564.3.1.1711; 10add:C~O:=,del:C~N:-,del:C~O:-Lys41; Lys57Lys41; Lys57Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvateCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
15145862058621; 58622LR; RL4.3.1.174.3.11010911unclassified_unique_ec4MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2186; 9564.3.1.1711; 10add:C~O:=,del:C~N:-,del:C~O:-Lys41; Lys57Lys41; Lys57Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvateCCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
16155862458625; 58626LR; RL4.3.1.174.3.11010911unclassified_unique_ec4MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2186; 9564.3.1.1711; 10add:C~O:=,del:C~N:-,del:C~O:-Lys41; Lys57Lys41; Lys57Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvateCCCCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
17165863258633; 58634LR; RL4.3.1.174.3.11010911unclassified_unique_ec4MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2186; 9564.3.1.1711; 10add:C~O:=,del:C~N:-,del:C~O:-Lys41; Lys57Lys41; Lys57Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvateCCCCCCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
18175863658637; 58638LR; RL4.3.1.174.3.11010911unclassified_unique_ec4MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2186; 9564.3.1.1711; 10add:C~O:=,del:C~N:-,del:C~O:-Lys41; Lys57Lys41; Lys57Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvateCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCC/C=C\CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
19185864458645; 58646LR; RL4.3.1.174.3.11010911unclassified_unique_ec4MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2186; 9564.3.1.1711; 10add:C~O:=,del:C~N:-,del:C~O:-Lys41; Lys57Lys41; Lys57Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvateCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
20197485574856; 74857LR; RL4.3.3.24.3.3111010unclassified_unique_ec4MCSA_360_2_03604.3.3.210add:C~C:-,add:C~N:-,del:C~O:=Glu309Glu309Glu309tryptaminium + (-)-secologanin -> water + 3alpha(S)-strictosidinium(1+)[NH3+]CCC1=CC=C(O)C(O)=C1.CC(=O)C(=O)[O-]>>C[C@@]1(C(=O)[O-])[NH2+]CCC2=C1C=C(O)C(O)=C2.[H]O[H]
21207485974860; 74861LR; RL4.3.3.24.3.3111010unclassified_unique_ec4MCSA_360_2_03604.3.3.210add:C~C:-,add:C~N:-,del:C~O:=Glu309Glu309Glu309tryptaminium + (-)-secologanin -> water + 3alpha(S)-strictosidinium(1+)[NH3+]CCC1=CC=C(O)C(O)=C1.[H]C([H])=O>>OC1=CC2=C(C=C1O)C[NH2+]CC2.[H]O[H]
22212799427995; 27996LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranoseO=C1NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C=N2.[H]O[H]>>OC[C@H]1OC(O)[C@H](O)[C@@H]1O.O=C1NC(=O)C2=C(NC=N2)N1
23223077130772; 30773LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranoseNC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1.[H]O[H]>>NC1=NC2=C(N=CN2)C(=O)N1.OC[C@H]1OC(O)[C@H](O)[C@@H]1O
24233113531136; 31137LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose[H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC(C(N)=O)=C2N)[C@H](O)[C@@H]1O.O=P([O-])([O-])OP(=O)([O-])O>>NC(=O)C1=C(N)NC=N1.O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O
25244950849509; 49510LR; RL4.2.1.594.2.11199unclassified_unique_ec4MCSA_10_1_0104.2.1.599chg:C~C:->=,del:C~O:-Asp84; His70Asp84; His70Asp84; Cys80; Gly79; His70; Val76(R)-3-hydroxydecanoyl-ACP -> water + 3-Decanoyl-[acyl-carrier protein][H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H]
26255270852709; 52710LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranoseNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H]O[H]>>NC1=NC2=C(N=CN2)C(=O)N1.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
27265502055021; 55022LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranoseNC1=C(N[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)NC(=O)NC1=O.[H]O[H]>>NC1=C(N)C(=O)NC(=O)N1.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
28275781657817; 57818LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranoseNC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(=O)N1.[H]O[H]>>O=P([O-])([O-])OC[C@H]1OC(O)C[C@@H]1O.NC1=NC2=C(N=CN2)C(=O)N1
29287538775388; 75389LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranoseNC1=NC2=C(C(=O)N1)C(CN[C@H]1C=C[C@H](O)[C@@H]1O)=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>NC1=NC2=C(C(=O)N1)C(CN[C@H]1C=C[C@H](O)[C@@H]1O)=CN2.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
30298361983620; 83621LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose*O[C@H]1C[C@H](N2C=NC3=C2N=C2NC=CN2C3=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1C2=C(N=C3NC=CN13)NC=N2.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]
31308362383624; 83625LR; RL3.2.2.293.2.21199unclassified_unique_ec4MCSA_834_2_18343.2.2.299add:C~O:-,del:C~N:-His151His151Asn140; His151water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose*O[C@H]1C[C@H](N2C=NC3=C2N2C=CN=C2NC3=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1N/C2=N/C=C\N2C2=C1N=CN2.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]
32312843028431; 28432LR; RL5.3.1.15.3.14299unclassified_unique_ec4MCSA_324_1_0; MCSA_324_2_03245.3.1.19chg:C~O:->=,chg:C~O:=>-Glu165; His95; Glu97; Lys13Glu165; His95; Glu97; Lys13Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-)[H]C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>O=C(CO)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]
33325318053181; 53182LR; RL5.3.1.15.3.14299unclassified_unique_ec4MCSA_324_1_0; MCSA_324_2_03245.3.1.19chg:C~O:->=,chg:C~O:=>-Glu165; His95; Glu97; Lys13Glu165; His95; Glu97; Lys13Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-)O=C[C@H](O)[C@H](O)CO>>O=C(CO)[C@H](O)CO
34335328053281; 53282LR; RL5.3.1.15.3.14299unclassified_unique_ec4MCSA_324_1_0; MCSA_324_2_03245.3.1.19chg:C~O:->=,chg:C~O:=>-Glu165; His95; Glu97; Lys13Glu165; His95; Glu97; Lys13Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-)[H]C(=O)[C@@H](O)[C@H](O)CO>>O=C(CO)[C@H](O)CO
35342493524936; 24937LR; RL3.2.2.13.2.21188unclassified_unique_ec4MCSA_39_1_0393.2.2.18add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:-Asn39; Asp10; Asp15; Asp242; His241; Thr126Asn39; Asp10; Asp15; Asp242; His241; Thr126Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126nebularine + water -> 7H-purine + D-ribofuranoseO=C1CN=CN1.[H]O[H]>>[NH2+]=CNCC(=O)[O-]
36352545225453; 25454LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1C/C=C(\C)CC/C=C(\C)CC1.O=P([O-])([O-])OP(=O)([O-])O
37362786627867; 27868LR; RL3.2.1.1143.2.11188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseO=P([O-])([O-])OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.O=C([O-])[C@H](O)CO>>O=C([O-])[C@@H](CO)O[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@@H]1O.[H]O[H]
38373127931280; 31281LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-].CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
39383297532976; 32977LR; RL3.2.1.1143.2.11188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose*C(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(*)=O.[H]O[H].[H]O[H]>>[NH3+][C@@H](COP(=O)([O-])OC[C@H](O)CO)C(=O)[O-].[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
40393298332984; 32985LR; RL3.2.1.1143.2.11188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose*C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(*)=O.[H]O[H].[H]O[H]>>O=P([O-])(OC[C@H](O)CO)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
41406457264573; 64574LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
42416458064581; 64582LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
43426847268473; 68474LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(\C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
44436852468525; 68526LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
45446852868529; 68530LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
46456853268533; 68534LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(/C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
47466864068641; 68642LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
48476877668777; 68778LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1C/C=C(\C)CC/C=C(\C)CC1.O=P([O-])([O-])OP(=O)([O-])O
49486878068781; 68782LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1.O=P([O-])([O-])OP(=O)([O-])O
50496881268813; 68814LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
51506881668817; 68818LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(\C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
52516884468845; 68846LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(/C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
53527700377004; 77005LR; RL3.2.2.13.2.21188unclassified_unique_ec4MCSA_39_1_0393.2.2.18add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:-Asn39; Asp10; Asp15; Asp242; His241; Thr126Asn39; Asp10; Asp15; Asp242; His241; Thr126Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126nebularine + water -> 7H-purine + D-ribofuranose[H][C@@]1(C[C@H]([NH3+])C(=O)[O-])CNC(=[NH2+])N1.[H]O[H]>>NC(=[NH2+])NC[C@@H](O)C[C@H]([NH3+])C(=O)[O-]
54538087580876; 80877LR; RL2.5.1.102.5.11188unclassified_unique_ec4MCSA_253_1_02532.5.1.108add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Asp117; Asp121; Asp257Asp117; Asp121; Asp257Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-)CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C
55548402784028; 84029LR; RL3.2.2.13.2.21188unclassified_unique_ec4MCSA_39_1_0393.2.2.18add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:-Asn39; Asp10; Asp15; Asp242; His241; Thr126Asn39; Asp10; Asp15; Asp242; His241; Thr126Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126nebularine + water -> 7H-purine + D-ribofuranoseCN1C=NC(CCC(=O)[O-])C1=O.[H]O[H]>>[H]/C(N[C@@H](CCC(=O)[O-])C(=O)[O-])=[NH+]\C
56558429584296; 84297LR; RL3.2.1.1143.2.11188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
57568429984300; 84301LR; RL3.2.1.1143.2.11188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
58572851028511; 28512LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseO=P([O-])([O-])OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC1=CC=C(O)C=C1
59583290732908; 32909LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
60593297132972; 32973LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O.[H]O[H].[H]O[H]>>[NH3+]CCOP(=O)([O-])OC[C@H](O)CO.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
61603312733128; 33129LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseO=P([O-])([O-])OC[C@H]1O[C@@H](OC2=CC=CC=C2CO)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>OCC1=CC=CC=C1O.O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
62614065940660; 40661LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
63624067940680; 40681LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCC/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCC/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
64634068340684; 40685LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
65644068740688; 40689LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
66654069140692; 40693LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
67664069540696; 40697LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
68674069940700; 40701LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
69684070340704; 40705LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCC/C=C\C/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCC/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
70694070740708; 40709LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCC/C=C\C/C=C\C/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CC/C=C\C/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
71704071140712; 40713LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCO>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
72714072740728; 40729LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].*C(=O)[O-]>>*C(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
73724075140752; 40753LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
74734075540756; 40757LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
75744075940760; 40761LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
76754083540836; 40837LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+].[H+]
77764093540936; 40937LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose*C(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCO>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].*C(=O)[O-].[H+]
78774097540976; 40977LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+].[H+]
79786062460625; 60626LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H].[H]O[H]>>[NH3+]CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+].[H+]
80796831268313; 68314LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseO=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)([O-])[O-].[H]O[H]>>O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1OP(=O)([O-])[O-].O=P([O-])([O-])O
81806967169672; 69673LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseO=C1C[C@@H](C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2.[H]O[H]>>O=C1C[C@@H](C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
82816967569676; 69677LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseO=C1C[C@@H](C2=CC(O)=C(O)C=C2)OC2=C1/C(O)=C\C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/2.[H]O[H]>>O=C1C[C@@H](C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
83828603186032; 86033LR; RL3.2.1.1143.2.12188unclassified_unique_ec4MCSA_793_1_07933.2.1.1148add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:-Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90Asp204; Asp341; Asp92; His471; His90alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannoseO=C([O-])C1=C(C2=C(C(=O)[O-])C=C(O)C(O)=C2O)C(O)=C(O)C(O)=C1>>O=C1OC2=C(O)C([O-])=CC3=C2C2=C1C=C([O-])C(O)=C2OC3=O.[H]O[H].[H]O[H]
84831048010481; 10482LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CC(O)C(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CC(O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
85841924919250; 19251LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+]CC(=O)[O-]
86852096420965; 20966LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
87862531525316; 25317LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC(=O)N[C@@H](CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)N[C@@H](CCCC(=O)C(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
88872856228563; 28564LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.C[C@@H]([NH3+])C(=O)[O-]>>CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.CC(=O)C(=O)[O-]
89883002330024; 30025LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.C[C@H]([NH3+])C(=O)[O-]>>CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.CC(=O)C(=O)[O-]
90893087530876; 30877LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCCC[C@@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+][C@H](CCC(=O)[O-])C(=O)[O-]
91903107131072; 31073LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionC[C@@H](C=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>C[C@@H](C[NH3+])C(=O)[O-].CC(=O)C(=O)[O-]
92913313133132; 33133LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])C(=O)CC1C=CC(O)CC1.[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>[NH3+]C(CC1C=CC(O)CC1)C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1
93923758737588; 37589LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCCC[C@@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
94934001140012; 40013LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene[H][C@@]12CCC(=C)[C@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@]1(CC[C@@](C)(O)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C.O=P([O-])([O-])OP(=O)([O-])O
95944001540016; 40017LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene[H][C@@]12CCC(=C)[C@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@]1(CC[C@](C)(O)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C.O=P([O-])([O-])OP(=O)([O-])O
96954002740028; 40029LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene[H][C@@]12CCC(=C)[C@@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CCC(=C)[C@@]([H])(CC[C@](C)(O)C=C)[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])OP(=O)([O-])O
97964003140032; 40033LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene[H][C@]12CCC(=C)[C@@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]1(CC[C@](C)(O)C=C)C(=C)CC[C@]2([H])C(C)(C)CCC[C@@]12C.O=P([O-])([O-])OP(=O)([O-])O
98974250442505; 42506LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC(=O)NCCCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)NCCCCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
99984708447085; 47086LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCSCCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=C(O)C=C1.CSCC[C@H]([NH3+])C(=O)[O-]
100994732047321; 47322LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CC(=O)[O-])C1=CC=CC=C1.O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])CC(=O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1011004732447325; 47326LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CC(=O)[O-])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>O=C([O-])CC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
1021014780047801; 47802LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion*[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]>>*C(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]
1031025106851069; 51070LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+].CC(=O)C(=O)[O-]>>CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)C(C)=O.C[C@H]([NH3+])C(=O)[O-]
1041035698456985; 56986LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadieneCC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
1051045938459385; 59386LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=CC=C(C[C@H]([NH3+])C(=O)[O-])C=C1.O=C([O-])CCC(=O)C(=O)[O-]>>NC1=CC=C(CC(=O)C(=O)[O-])C=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1061055982459825; 59826LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.O=C([O-])CCC(=O)C(=O)[O-]>>[H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1071066162461625; 61626LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCCCC[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>[H]C(=O)CCCC[NH3+].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1081076218062181; 62182LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene[H][C@@]12CC[C@@H](C)[C@](O)(CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CC[C@@H](C)[C@](O)(CCC(C)(O)C=C)[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])OP(=O)([O-])O
1091086427264273; 64274LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
1101096428064281; 64282LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionC[C@H]([NH3+])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>CC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
1111106428464285; 64286LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)CC1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
1121116430064301; 64302LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCCC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)CCC1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
1131126430464305; 64306LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC([NH3+])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>CCC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
1141136430864309; 64310LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC([NH3+])CC(=O)[O-].CC(=O)C(=O)[O-]>>CC(=O)CC(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
1151146588865889; 65890LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1161156590465905; 65906LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1171166591265913; 65914LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
1181176592065921; 65922LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.C[C@H]([NH3+])C(=O)[O-]
1191186604866049; 66050LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CC[C@H]([NH3+])C(=O)[O-]
1201196605666057; 66058LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])C(=O)CC1=CNC2=C1C=CC=C2.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-]
1211206606466065; 66066LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>CCCC[C@H]([NH3+])C(=O)[O-].NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1
1221216607266073; 66074LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC(C)CC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CC(C)C[C@H]([NH3+])C(=O)[O-]
1231226608066081; 66082LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>CCC[C@H]([NH3+])C(=O)[O-].NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1
1241236608866089; 66090LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
1251246609666097; 66098LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])C(=O)CC1=CC=CC=C1.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]
1261256610466105; 66106LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])C(=O)CC1=CC=C(O)C=C1.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]
1271266610866109; 66110LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC(=O)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>O=C([O-])C(=O)CS.CC[C@H]([NH3+])C(=O)[O-]
1281276611266113; 66114LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=C(O)C=C1
1291286611666117; 66118LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC(=O)C(=O)[O-].NC(=O)CC[C@H]([NH3+])C(=O)[O-]>>NC(=O)CCC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
1301296612066121; 66122LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]
1311306612466125; 66126LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CNC=N1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CN=CN1.CC[C@H]([NH3+])C(=O)[O-]
1321316612866129; 66130LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1
1331326716867169; 67170LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CC1=CC=CC(O)=C1)C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC(O)=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1341336837268373; 68374LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
1351346837668377; 68378LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1361356838068381; 68382LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])C(=O)CO.NC(=O)C[C@H]([NH3+])C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CO)C(=O)[O-]
1371366870868709; 68710LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadieneCC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
1381376882068821; 68822LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadieneCC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
1391386883268833; 68834LR; RL3.1.7.93.1.74288unclassified_unique_ec4MCSA_954_1_0; MCSA_954_2_09543.1.7.98add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:-Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90Arg38; Asp34; Tyr51; Tyr90water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadieneCC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(/C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
1401396910069101; 69102LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCSCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CSCC[C@H]([NH3+])C(=O)[O-]
1411406910869109; 69110LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])C(=O)CS.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CS)C(=O)[O-]
1421416911269113; 69114LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CCCC(=O)[O-])C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])CCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1431426911669117; 69118LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=C(O)C=C1.[NH3+]CC(=O)[O-]
1441436912069121; 69122LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[H]C(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=CC=C1.[NH3+]CC(=O)[O-]
1451446912469125; 69126LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CNC2=C1C=CC=C2.[NH3+]CC(=O)[O-]
1461456912869129; 69130LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC(C)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC(C)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1471466955269553; 69554LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C(CO)COP(=O)([O-])[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]>>[NH3+][C@@H](CO)COP(=O)([O-])[O-].O=C([O-])CCC(=O)C(=O)[O-]
1481477005170052; 70053LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])CCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CCCC(=O)[O-])C(=O)[O-]
1491487016770168; 70169LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C1.[H+]>>CN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C1.[H+]
1501497022370224; 70225LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1511507029570296; 70297LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CS(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CS(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1521517540375404; 75405LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCC[NH3+].CC(=O)C(=O)[O-]>>[H]C(=O)CC[NH3+].C[C@H]([NH3+])C(=O)[O-]
1531527607176072; 76073LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[H][C@]1([C@@H](O)[C@H](C)O)CNC2=C(N1)C(=O)N/C(N)=N\2.O=C([O-])*C(=O)[O-]>>[H][C@]1([C@@H](O)[C@H](C)O)CNC2=C(N1)C(=O)N/C(N)=N\2.O=C([O-])*C(=O)[O-]
1541537607576076; 76077LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionC[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O.O=C([O-])*C(=O)[O-]>>C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O.O=C([O-])*C(=O)[O-]
1551547607976080; 76081LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionC[C@H](O)C(=O)C1=NC2=C(N=C(N)NC2=O)NC1.O=C([O-])*C(=O)[O-]>>C[C@H](O)C(=O)C1=NC2=C(N=C(N)NC2=O)NC1.O=C([O-])*C(=O)[O-]
1561557730377304; 77305LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
1571567730777308; 77309LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCN/C(NCCC[C@H]([NH3+])C(=O)[O-])=[NH+]\C.CC(=O)C(=O)[O-]>>CN/C(NCCCC(=O)C(=O)[O-])=[NH+]/C.C[C@H]([NH3+])C(=O)[O-]
1581577731177312; 77313LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1591587731577316; 77317LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCN/C(NCCC[C@H]([NH3+])C(=O)[O-])=[NH+]\C.[H]C(=O)C(=O)[O-]>>CN/C(NCCCC(=O)C(=O)[O-])=[NH+]/C.[NH3+]CC(=O)[O-]
1601597731977320; 77321LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>CNC(=[NH2+])NCCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
1611607732377324; 77325LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CNC(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1621617732777328; 77329LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>[NH3+]CCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
1631627733177332; 77333LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[NH3+]CCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1641637733977340; 77341LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1651647734377344; 77345LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
1661657734777348; 77349LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionO=C([O-])CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].CC(=O)C(=O)[O-]
1671667735177352; 77353LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CCC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
1681677735977360; 77361LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCCC(=O)C(=O)[O-].CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].CCC[C@H]([NH3+])C(=O)[O-]
1691687736377364; 77365LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCCCCC(=O)C(=O)[O-].CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]>>CCCC[C@H]([NH3+])C(=O)[O-].CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-]
1701697832378324; 78325LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[H]C(=O)C(=O)[O-].NC(=O)CC[C@H]([NH3+])C(=O)[O-]>>NC(=O)CCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1711707870378704; 78705LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCP(=O)([O-])CCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]>>CP(=O)([O-])CC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]
1721718161581616; 81617LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC[C@H](C)[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC[C@H](C)C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1731728161981620; 81621LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion*[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[1*]C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1741738162381624; 81625LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+]CCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1751748162781628; 81629LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC(C)[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC(C)C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
1761758163181632; 81633LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CS)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CS.[NH3+]CC(=O)[O-]
1771768163581636; 81637LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionCC(C)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>CC(C)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]
1781778241582416; 82417LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion[NH3+][C@@H](CS)C(=O)[O-].CC(=O)C(=O)[O-]>>O=C([O-])C(=O)CS.C[C@H]([NH3+])C(=O)[O-]
1791788241982420; 82421LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
1801798242382424; 82425LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]
1811808242782428; 82429LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
1821818243182432; 82433LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionNC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]
1831828278782788; 82789LR; RL2.6.1.212.6.14288unclassified_unique_ec4MCSA_66_1_170; MCSA_66_1_171662.6.1.218add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:=Lys145Lys145Glu177; Leu201; Lys145; Tyr31D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterionC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
1841832964729648; 29649LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
1851842968329684; 29685LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
1861852969129692; 29693LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
1871865246052461; 52462LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose[H][C@@]12CCC3=C(C=CC(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)=C3)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>[H][C@@]12CCC3=CC(O)=CC=C3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
1881875246452465; 52466LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose[H][C@@]12CCC3=C(C=CC(O)=C3)[C@@]1([H])CC[C@]1(C)[C@@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>[H][C@@]12CCC3=CC(O)=CC=C3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
1891885304053041; 53042LR; RL2.4.1.12.4.11177unclassified_unique_ec4
1901895632056321; 56322LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose*C1=CC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(*)=C(*)C=C2[O+]=C1C1=CC(*)=C(*)C(*)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>*C1=CC2=C(O)C(*)=C(*)C=C2[O+]=C1C1=CC(*)=C(*)C(*)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
1911905746857469; 57470LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseCOC1=CC(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
1921915770857709; 57710LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseCOC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(/C=C/C=O)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>COC1=CC(/C=C/C=O)=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
1931926116461165; 61166LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseC[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC([O-])=C3)[C@H](O)[C@H](O)[C@H]1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C1C([O-])=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2.C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
1941936231262313; 62314LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseO=C([O-])C1=CC=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C([O-])C1=C(O)C=CC=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
1951946231662317; 62318LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseO=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>O=C([O-])C1=C(O)C=CC=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
1961957590375904; 75905LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose*N[C@@H](CO[C@H]1O[C@]([H])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>[H][C@]1([C@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O
1971967590775908; 75909LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose*N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>[H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O
1981977923579236; 79237LR; RL4.3.1.244.3.11177unclassified_unique_ec4MCSA_708_1_07084.3.1.247chg:C~C:->=,del:C~N:-Tyr351Tyr351Asp351; Gly400; Tyr110L-phenylalanine zwitterion -> trans-cinnamate + ammoniumCOC1=CC=C(C[C@H]([NH3+])C(=O)[O-])C=C1OC>>COC1=CC=C(/C=C/C(=O)[O-])C=C1OC.[H][N+]([H])([H])[H]
1991988394383944; 83945LR; RL4.3.1.244.3.11177unclassified_unique_ec4MCSA_708_1_07084.3.1.247chg:C~C:->=,del:C~N:-Tyr351Tyr351Asp351; Gly400; Tyr110L-phenylalanine zwitterion -> trans-cinnamate + ammoniumCN1C=NC(C[C@H]([NH3+])C(=O)[O-])=C1>>CN1C=NC(/C=C/C(=O)[O-])=C1.[H][N+]([H])([H])[H]
2001998404784048; 84049LR; RL4.3.1.244.3.11177unclassified_unique_ec4MCSA_708_1_07084.3.1.247chg:C~C:->=,del:C~N:-Tyr351Tyr351Asp351; Gly400; Tyr110L-phenylalanine zwitterion -> trans-cinnamate + ammoniumC[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]>>O=C([O-])/C=C/C1=CNC(=S)N1.C[NH+](C)C
2012008560385604; 85605LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideCC#N.[H]O[H]>>CC(N)=O
2022018560785608; 85609LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideCCC#N.[H]O[H]>>CCC(N)=O
2032028561185612; 85613LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideC=CC#N.[H]O[H]>>C=CC(N)=O
2042038564385644; 85645LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CCO.[H]O[H]>>NC(=O)CO
2052048564785648; 85649LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideCOCC#N.[H]O[H]>>COCC(N)=O
2062058565185652; 85653LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideCCCC#N.[H]O[H]>>CCCC(N)=O
2072068565585656; 85657LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideC=C(C)C#N.[H]O[H]>>C=C(C)C(N)=O
2082078565985660; 85661LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CC1=CC=CN=C1.[H]O[H]>>NC(=O)C1=CC=CN=C1
2092088566385664; 85665LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CC1=CC=NC=C1.[H]O[H]>>NC(=O)C1=CC=NC=C1
2102098566785668; 85669LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CC1=CC=CC=C1.[H]O[H]>>NC(=O)C1=CC=CC=C1
2112108567185672; 85673LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideC/C=C/C#N.[H]O[H]>>C/C=C/C(N)=O
2122118567585676; 85677LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CC1CC1.[H]O[H]>>NC(=O)C1CC1
2132128569185692; 85693LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CCCO.[H]O[H]>>NC(=O)CCO
2142138569585696; 85697LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CCCl.[H]O[H]>>NC(=O)CCl
2152148569985700; 85701LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amide*C#N.[H]O[H]>>*C(=O)N([H])[H]
2162158570385704; 85705LR; RL4.2.1.844.2.11177unclassified_unique_ec4MCSA_57_1_0574.2.1.847add:C~O:=,chg:C~N:#>-Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Ser113; Tyr72Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76nitrile + water -> aliphatic amideN#CCC1=CN/C2=C\C=C/C=C\12.[H]O[H]>>NC(=O)CC1=CNC2=CC=CC=C12
2172168583985840; 85841LR; RL2.4.1.12.4.11177unclassified_unique_ec4MCSA_205_1_02052.4.1.17add:C~O:-,del:C~O:-Lys568Lys568Arg569; His377; Lys568; Lys574; Lys680; Thr676alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucoseO=C([O-])C1=CC=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
2182172613226133; 26134LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[H]O[H]>>OCC(O)CO.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
2192183287132872; 32873LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC(CO)CO.[H]O[H]>>[1*]C(=O)[O-].OCC(O)CO.[H+]
2202193287532876; 32877LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OC[C@@H](O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
2212203293532936; 32937LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.*C(=O)[O-].[H+]
2222213327133272; 33273LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@H](CO)OC([2*])=O.*C(=O)[O-].[H+]
2232223361133612; 33613LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCOC(=O)C1=C(O)C=CC=C1.[H]O[H]>>O=C([O-])C1=C(O)C=CC=C1.CO.[H+]
2242233401934020; 34021LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
2252243435934360; 34361LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.[1*]C(=O)[O-].[H+]
2262253566735668; 35669LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(CO)OC([2*])=O.*C(=O)[O-].[H+]
2272263636736368; 36369LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1CC[C@@H](C(=O)[O-])O1.[H]O[H]>>O=C([O-])CCC(O)C(=O)[O-].[H+]
2282273836338364; 38365LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2292283837938380; 38381LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]
2302293838338384; 38385LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2312303838738388; 38389LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2322313839138392; 38393LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2332323839538396; 38397LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2342333839938400; 38401LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2352343840338404; 38405LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
2362353840738408; 38409LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
2372363841138412; 38413LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
2382373841538416; 38417LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
2392383841938420; 38421LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2402393842338424; 38425LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2412403842738428; 38429LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2422413843138432; 38433LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2432423848338484; 38485LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@@H](CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.*C(=O)[O-].[H+]
2442433848738488; 38489LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2452443849138492; 38493LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2462453849538496; 38497LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(O)COC([2*])=O.*C(=O)[O-].[H+]
2472463849938500; 38501LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](CO)OC([2*])=O.*C(=O)[O-].[H+]
2482473850338504; 38505LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@@H](O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)CO.*C(=O)[O-].[H+]
2492483850738508; 38509LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>[H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
2502493851138512; 38513LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2512503851538516; 38517LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>[H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2522513851938520; 38521LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2532523852338524; 38525LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2542533852738528; 38529LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2552543859538596; 38597LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2562553864338644; 38645LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2572563864738648; 38649LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2582573865138652; 38653LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2592583865938660; 38661LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2602593972339724; 39725LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO)OC([2*])=O>>[1*]C(=O)OC[C@H](CO)OC([2*])=O
2612603993139932; 39933LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2622613993939940; 39941LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2632623995939960; 39961LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2642633996339964; 39965LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2652644004740048; 40049LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC.CCCCCCCC(=O)[O-].[H+]
2662654005540056; 40057LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.[H]O[H]>>[H][C@@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCC.CCCCCCCC(=O)[O-].[H+]
2672664060340604; 40605LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2682674060740608; 40609LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO.[H]O[H]>>CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2692684061140612; 40613LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC.[H]O[H]>>CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC.CCCCCC(=O)[O-].[H+]
2702694061540616; 40617LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC.[H]O[H]>>CCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCC.CCCCCCCCCC(=O)[O-].[H+]
2712704061940620; 40621LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCC.CCCCCCCCCCCC(=O)[O-].[H+]
2722714062340624; 40625LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)[O-].[H+]
2732724062740628; 40629LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2742734063140632; 40633LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
2752744063540636; 40637LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2762754097940980; 40981LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2772764098340984; 40985LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2782774110341104; 41105LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
2792784110741108; 41109LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
2802794111141112; 41113LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
2812804248042481; 42482LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C(/C=C\C=C(\O)C(=O)[O-])OC1=C(O)C=CC=C1.[H]O[H]>>O=C([O-])/C=C/C=C(\O)C(=O)[O-].OC1=C(O)C=CC=C1.[H+]
2822814251642517; 42518LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@]1([C@@H](O)CO)OC(=O)[C@@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[H+]
2832824373243733; 43734LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](O)COC([2*])=O.*C(=O)[O-].[H+]
2842834431244313; 44314LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2852844431644317; 44318LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2862854432044321; 44322LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2872864432444325; 44326LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCC(=O)OCC(O)CO.[H]O[H]>>CCCC(=O)[O-].OCC(O)CO.[H+]
2882874432844329; 44330LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2892884461644617; 44618LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC(*)=O.*C(=O)[O-].[H+]
2902894468844689; 44690LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
2912904472844729; 44730LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
2922914473244733; 44734LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
2932924486444865; 44866LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(CO)OC([2*])=O.*C(=O)[O-].[H+]
2942934487644877; 44878LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@H](O)CO.*C(=O)[O-].[H+]
2952944494044941; 44942LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OC[C@H](COC(*)=O)OC(*)=O.[H]O[H]>>[1*]OC[C@@H](O)COC([3*])=O.*C(=O)[O-].[H+]
2962954494444945; 44946LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]OC[C@@H](O)COC([3*])=O.[H]O[H]>>*OC[C@@H](O)CO.*C(=O)[O-].[H+]
2972964494844949; 44950LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OC[C@H](COC(*)=O)OC(*)=O.[H]O[H]>>*C(=O)O[C@@H](CO)CO[1*].*C(=O)[O-].[H+]
2982974541245413; 45414LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
2992984541645417; 45418LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC(CO)CO.[H]O[H]>>CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
3002994707247073; 47074LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3013004738447385; 47386LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC(=O)OC1=CC=C(O)C=C1.[H]O[H]>>OC1=CC=C(O)C=C1.CC(=O)[O-].[H+]
3023014786847869; 47870LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)O[2*].[H]O[H]>>*OCC(CO)O*.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3033024788047881; 47882LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]OCC(COC(=O)CCCCCCC)O[2*].[H]O[H]>>*OCC(CO)O*.CCCCCCCC(=O)[O-].[H+]
3043034829648297; 48298LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
3053044830048301; 48302LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OCC(O)CO)[C@@H](O)C[C@H]1O.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O.OCC(O)CO.[H+]
3063054842848429; 48430LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3073064844048441; 48442LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
3083074844448445; 48446LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(*)=O.[H]O[H]>>[1*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
3093084845648457; 48458LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CCCCCCCC(=O)[O-].[H+]
3103094846048461; 48462LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.CCCCCCCC(=O)[O-].[H+]
3113104855248553; 48554LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)[O-].[H+]
3123114926449265; 49266LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@@H]1CC(C(=O)[O-])=C[C@@H](O)[C@H]1O.[H]O[H]>>O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1.O=C([O-])/C=C/C1=CC(O)=C(O)C=C1.[H+]
3133125013250133; 50134LR; RL4.2.1.34.2.12177unclassified_unique_ec4MCSA_552_1_05524.2.1.37add:C~O:-,del:C~O:-His101; Ser642His101; Ser642Arg447; Arg644; Asp100; Asp165; His101; Ser642isocitrate(3-) -> citrate(3-)CCCCCCCCCCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
3143135013650137; 50138LR; RL4.2.1.34.2.12177unclassified_unique_ec4MCSA_552_1_05524.2.1.37add:C~O:-,del:C~O:-His101; Ser642His101; Ser642Arg447; Arg644; Asp100; Asp165; His101; Ser642isocitrate(3-) -> citrate(3-)CCCCCCCC/C=C\CCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3153145014450145; 50146LR; RL4.2.1.34.2.12177unclassified_unique_ec4MCSA_552_1_05524.2.1.37add:C~O:-,del:C~O:-His101; Ser642His101; Ser642Arg447; Arg644; Asp100; Asp165; His101; Ser642isocitrate(3-) -> citrate(3-)CCCCCC/C=C\CCCCCCCC(=O)OCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)[O-].CCO.[H+]
3163155014850149; 50150LR; RL4.2.1.34.2.12177unclassified_unique_ec4MCSA_552_1_05524.2.1.37add:C~O:-,del:C~O:-His101; Ser642His101; Ser642Arg447; Arg644; Asp100; Asp165; His101; Ser642isocitrate(3-) -> citrate(3-)*C(=O)OCC.[H]O[H]>>CCO.*C(=O)[O-].[H+]
3173165031650317; 50318LR; RL4.2.1.34.2.12177unclassified_unique_ec4MCSA_552_1_05524.2.1.37add:C~O:-,del:C~O:-His101; Ser642His101; Ser642Arg447; Arg644; Asp100; Asp165; His101; Ser642isocitrate(3-) -> citrate(3-)CCCCCCCCCCCCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
3183175204852049; 52050LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3193185205252053; 52054LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
3203195205652057; 52058LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
3213205206052061; 52062LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3223215206452065; 52066LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3233225206852069; 52070LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[H+]
3243235207252073; 52074LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3253245207652077; 52078LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3263255208052081; 52082LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
3273265208452085; 52086LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
3283275209252093; 52094LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-].[H]O[H]>>CCCCCCCCCCCCCC(O)CCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3293285209652097; 52098LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
3303295210052101; 52102LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-].[H]O[H]>>CCCCCCCCCCCCCC(O)CCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3313305537255373; 55374LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC.[H]O[H]>>CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)[O-].CO.[H+]
3323315802058021; 58022LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueC=C(C(=O)[O-])[C@H]1[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H]1O.[H+]>>[H][C@@]12/C=C(\C)CC/C=C(\C)C[C@@H](O)[C@@]1([H])C(=C)C(=O)O2.[H]O[H]
3333325804058041; 58042LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3343335807658077; 58078LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3353345808058081; 58082LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3363355808458085; 58086LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3373365808858089; 58090LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-].OCC(O)CO.[H+]
3383375809258093; 58094LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CO.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].OCC(O)CO.[H+]
3393385809658097; 58098LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3403395810058101; 58102LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
3413405930859309; 59310LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+]
3423415932059321; 59322LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3433425934859349; 59350LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3443435935659357; 59358LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3453445964459645; 59646LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.[H+]
3463455964859649; 59650LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H+]
3473465965259653; 59654LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H+]
3483475969259693; 59694LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3493485969659697; 59698LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3503495970059701; 59702LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3513505970459705; 59706LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3523515970859709; 59710LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3533525971259713; 59714LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3543535971659717; 59718LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3553545972059721; 59722LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3563555972459725; 59726LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
3573566274462745; 62746LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=CCC[C@@H]1O)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
3583576274862749; 62750LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@H](C)C[C@@H]1O)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
3593586275262753; 62754LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@@H](O)C[C@@H]1O)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
3603596304063041; 63042LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
3613606304463045; 63046LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
3623616304863049; 63050LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
3633626343263433; 63434LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
3643636343663437; 63438LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].[H+]
3653646667266673; 66674LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC1=C(O)C=C(O)C(C(=O)[O-])=C1CO.[H+]>>C/C1=C(O)/C=C(/O)C2=C1COC2=O.[H]O[H]
3663656727267273; 67274LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([2*])=O)OC(=O)CCCCCCCC(O)/C=C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[H+]
3673666778867789; 67790LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O>>*C(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC(*)=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O
3683677029970300; 70301LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C1O[C-]([C@@H](O)CO)C(=O)C1=O.[H]O[H]>>O=C([O-])C(=O)C(=O)[C@H](O)[C@@H](O)CO
3693687033570336; 70337LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueO=C([O-])C1(O)C(=O)O[C@@H](CO)[C@H]1O.[H]O[H]>>O=C([O-])C(O)(C(=O)[O-])[C@H](O)[C@@H](O)CO.[H+]
3703697396773968; 73969LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
3713707502775028; 75029LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCCCCCC(O)CCCCCCCC(=O)[O-]>>CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
3723717503175032; 75033LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
3733727523575236; 75237LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@@H]1O>>[H][C@]1([C@H](C)O)OC(=O)[C@@H](O)[C@@H]1O
3743737697176972; 76973LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3753747697576976; 76977LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3763757698376984; 76985LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
3773767710377104; 77105LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
3783777710777108; 77109LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
3793787759977600; 77601LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
3803797760377604; 77605LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
3813807760777608; 77609LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
3823817761177612; 77613LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
3833827761977620; 77621LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.*C(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)COC([2*])=O.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
3843837794377944; 77945LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCCCCCC(O)CCCCCCCC(=O)[O-]>>CCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
3853847795977960; 77961LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[1*]C(=O)OCC(CO)OC([2*])=O>>*C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O
3863857798377984; 77985LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@@H](CO)OC([2*])=O
3873867798777988; 77989LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(O)COC([2*])=O
3883877799577996; 77997LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@H](CO)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OC(CO)CO
3893887799978000; 78001LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[1*]C(=O)OCC(CO)OC([2*])=O>>[1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O
3903897801578016; 78017LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.*C(=O)[O-].[H+]
3913907801978020; 78021LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OCC(O)CO.*C(=O)[O-].[H+]
3923917806378064; 78065LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1>>*C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[1*]C(=O)OCC(CO)OC([2*])=O
3933927806778068; 78069LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1>>*C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[1*]C(=O)OCC(O)COC([2*])=O
3943937807578076; 78077LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>*C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
3953947807978080; 78081LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
3963957808378084; 78085LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
3973967808778088; 78089LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
3983977809978100; 78101LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
3993987814778148; 78149LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)CO.*C(=O)[O-].[H+]
4003997815178152; 78153LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OC[C@H](O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
4014007819578196; 78197LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C1CCC2C3CCC4C[C@@H](O)CCC4(C)C3CCC12C.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)O[C@H]1CCC2(C)C(CCC3C4CCC(*)C4(C)CCC32)C1.[1*]C(=O)OCC(CO)OC([2*])=O
4024017819978200; 78201LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C1CCC2C3CCC4C[C@@H](O)CCC4(C)C3CCC12C.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)O[C@H]1CCC2(C)C(CCC3C4CCC(*)C4(C)CCC32)C1.[1*]C(=O)OCC(O)COC([2*])=O
4034027925579256; 79257LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueC[C@H]1CCCC(=O)CCC/C=C/C2=CC(O)=CC(O)=C2C(=O)O1.[H]O[H]>>C[C@H](O)CCCC(=O)CCC/C=C/C1=C(C(=O)[O-])C(O)=CC(O)=C1.[H+]
4044038106781068; 81069LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12[C@H](O)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.O=C([O-])C1=CC=CC=C1.[H+]>>[H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.[H]O[H]
4054048107181072; 81073LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12[C@H](O)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.O=C([O-])C1=CC=C(O)C=C1.[H+]>>[H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.[H]O[H]
4064058261182612; 82613LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC1=C(O)C(C)=C(CO)C(C(=O)[O-])=C1O.[H+]>>CC1=C(O)C(C)=C2COC(=O)C2=C1O.[H]O[H]
4074068607986080; 86081LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.CC(=O)OC[C@H]1O[C@H]2OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)O[C@@H]3COC(C)=O
4084078608386084; 86085LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC(CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>CC1CCCCCC/C=C\CCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O1)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H]2CO.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
4094088612786128; 86129LR; RL3.1.1.963.1.12177unclassified_unique_ec4MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>CC(=O)OC[C@H]1O[C@H]2OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)O[C@@H]3COC(C)=O.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
4104096763667637; 67638LR; RL4.3.1.24.3.12277unclassified_unique_ec4MCSA_468_2_0; MCSA_468_2_14684.3.1.27chg:C~C:->=,del:C~N:-Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammoniumNC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(N[C@@H](CC(=O)[O-])C(=O)[O-])=N1>>NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(N)=N1.O=C([O-])/C=C/C(=O)[O-]
4114106914069141; 69142LR; RL4.3.1.24.3.12277unclassified_unique_ec4MCSA_468_2_0; MCSA_468_2_14684.3.1.27chg:C~C:->=,del:C~N:-Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium[NH3+]CCCC[NH2+]CCC=O>>[H]C(=C)C([H])=O.[NH3+]CCCC[NH3+]
4124116915269153; 69154LR; RL4.3.1.24.3.12277unclassified_unique_ec4MCSA_468_2_0; MCSA_468_2_14684.3.1.27chg:C~C:->=,del:C~N:-Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium[NH3+]CCC[NH2+]CCCC[NH2+]CCC=O>>[H]C(=C)C([H])=O.[NH3+]CCCC[NH2+]CCC[NH3+]
4134126915669157; 69158LR; RL4.3.1.24.3.12277unclassified_unique_ec4MCSA_468_2_0; MCSA_468_2_14684.3.1.27chg:C~C:->=,del:C~N:-Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammoniumO=CCC[NH2+]CCCC[NH2+]CCC=O>>[NH3+]CCCC[NH2+]CCC=O.[H]C(=C)C([H])=O
4144137459574596; 74597LR; RL4.3.1.24.3.12277unclassified_unique_ec4MCSA_468_2_0; MCSA_468_2_14684.3.1.27chg:C~C:->=,del:C~N:-Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammoniumC[C@@H](C(=O)[O-])[C@H]([NH3+])C(=O)[O-]>>C/C(=C\C(=O)[O-])C(=O)[O-].[H][N+]([H])([H])[H]
4154147535975360; 75361LR; RL4.3.1.24.3.12277unclassified_unique_ec4MCSA_468_2_0; MCSA_468_2_14684.3.1.27chg:C~C:->=,del:C~N:-Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium[NH3+][C@@H](CN1C=CC(=O)C(O)=C1)C(=O)[O-]>>O=C1C=CNC=C1O.C=C([NH3+])C(=O)[O-]
4164158117581176; 81177LR; RL4.3.1.24.3.12277unclassified_unique_ec4MCSA_468_2_0; MCSA_468_2_14684.3.1.27chg:C~C:->=,del:C~N:-Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Glu273; Lys331Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammoniumC[C@@H]([NH2+]C(CC(=O)[O-])C(=O)[O-])[C@H](N)C(=O)[O-]>>C[C@@H]([NH3+])[C@H](N)C(=O)[O-].O=C([O-])/C=C/C(=O)[O-]
4174163291932920; 32921LR; RL3.1.1.963.1.14277unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_37483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCOC(=O)CC1=CNC2=C1C=CC=C2.[H]O[H]>>O=C([O-])CC1=CN/C2=C\C=C/C=C\12.CO.[H+]
4184177841578416; 78417LR; RL3.1.1.963.1.14277unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_37483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCOC(=O)NC1=NC2=C(C=CC=C2)N1.[H]O[H]>>O=C([O-])NC1=NC2=CC=CC=C2N1.CO.[H+]
4194188550385504; 85505LR; RL3.1.1.963.1.14277unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_37483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCOC(=O)C1=CC=CN=C1.[H]O[H]>>O=C([O-])C1=CC=CN=C1.CO.[H+]
4204198588385884; 85885LR; RL3.1.1.963.1.14277unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_37483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@@]12C[C@H](CC)[C@]3([H])[N@@H+](CCC4=C(NC5=C4C=CC=C5)[C@]3(C(=O)OC)C1)C2.[H]O[H]>>[H][C@@]12C[C@H](CC)[C@]3([H])[N@@H+](CCC4=C(NC5=C4C=CC=C5)[C@]3(C(=O)[O-])C1)C2.CO.[H+]
4214203638736388; 36389LR; RL3.1.1.963.1.13377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueNC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O.[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H](O)[C@@H](O)[C@@H]1O>>NC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
4224212477624777; 24778LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueC=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C-]4C(=O)OC)/C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)[O-])[C@@H]3C.[H]O[H]>>C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C@@H]4C(=O)[O-])/C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)[O-])[C@@H]3C.CO
4234223285132852; 32853LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC(CO)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](CO)OC([2*])=O
4244233285532856; 32857LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC(CO)CO.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@H](CO)OC([2*])=O
4254243373133732; 33733LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4264253584335844; 35845LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+]
4274263638336384; 36385LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])C[C@@H]1O.NC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>NC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)C[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
4284274024740248; 40249LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)OC.[H]O[H]>>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)[O-].CO.[H+]
4294284025140252; 40253LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O)[C@H]1C(=O)OC.[H]O[H]>>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O)[C@H]1C(=O)[O-].CO.[H+]
4304294089940900; 40901LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
4314304135241353; 41354LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OC[C@@H](O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
4324314139641397; 41398LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.*/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+]>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(C)=O.CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4334324465244653; 44654LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OC[C@@H](O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(*)=O.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
4344334990849909; 49910LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
4354344991249913; 49914LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
4364354991649917; 49918LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
4374364992049921; 49922LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
4384374992449925; 49926LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>*C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
4394385363653637; 53638LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.*OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4404395369253693; 53694LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-].C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.[H+]
4414405442854429; 54430LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*N[C@@H](CC(=O)OC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CC(=O)[O-])C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H+]
4424415811258113; 58114LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC(=O)O[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[H]O[H]>>NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.CC(=O)[O-].[H+]
4434425824858249; 58250LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*N[C@@H](CCC(=O)OC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CCC(=O)[O-])C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H+]
4444435936459365; 59366LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCC1OC1CCCCCCCC.[H]O[H]>>CCCCCCCCC1OC1CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-].[H+]
4454445936859369; 59370LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCC(O)CCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-].CCCCCCCCC(O)CCCCCCCCC(=O)[O-].[H+]
4464455951259513; 59514LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCC(=O)OC1=C(C(=O)[O-])C=CC=C1.*N[C@@H](CO)C(*)=O>>*N[C@@H](COC(C)=O)C(*)=O.O=C([O-])C1=C(O)C=CC=C1
4474466365663657; 63658LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
4484476376063761; 63762LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+]>>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[NH3+]CCOP(=O)([O-])OC[C@H](O)CO
4494486377263773; 63774LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
4504496766867669; 67670LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
4514506767267673; 67674LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)OC[C@H](COP(=O)([O-])[O-])OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@@H](O)COP(=O)([O-])[O-].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
4524517802378024; 78025LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OC[C@H](CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(C)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
4534527802778028; 78029LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OC[C@H](CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(C)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4544537803978040; 78041LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OCC(O)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(O)COC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4554547804378044; 78045LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OCC(O)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(O)COC(*)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
4564557804778048; 78049LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OCC(CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(COC(*)=O)OC(C)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
4574567805178052; 78053LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*OCC(CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(COC(*)=O)OC(C)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4584577812778128; 78129LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>*C(=O)O[C@H](CO)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
4594587816378164; 78165LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
4604597843178432; 78433LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)O[C@@H](CO)CO[1*].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(*)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
4614607843578436; 78437LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)O[C@@H](CO)CO[1*].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4624617943579436; 79437LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4634628053580536; 80537LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue*C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](CO)OC(*)=O)OC(*)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
4644638153581536; 81537LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residueCCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O.[NH3+]CC(=O)[O-].[H+]>>CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)C[NH3+].[H]O[H]
4654648587985880; 85881LR; RL3.1.1.963.1.16377unclassified_unique_ec4MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_07483.1.1.967add:C~O:-,del:C~O:-Thr80Thr80Gln78; Phe79; Thr803'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue[H][C@]12C[C@H](CC)[C@]3([H])[NH+](CCC4=C(NC5=C4C=C(OC)C=C5)[C@]3(C(=O)OC)C1)C2.[H]O[H]>>[H][C@@]12C[C@H](CC)[C@@]3([H])[C@@](C(=O)[O-])(C1)C1=C(CC[N@@+]3([H])C2)C2=C(C=CC(OC)=C2)N1.CO.[H+]
4664654563245633; 45634LR; RL3.1.3.73.1.31166unclassified_unique_ec4MCSA_904_1_09043.1.3.76add:O~P:-,del:O~P:-Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphateCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC.O=P([O-])([O-])O
4674664563645637; 45638LR; RL3.1.3.73.1.31166unclassified_unique_ec4MCSA_904_1_09043.1.3.76add:O~P:-,del:O~P:-Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphateCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.O=P([O-])([O-])O
4684675253252533; 52534LR; RL3.1.3.73.1.31166unclassified_unique_ec4MCSA_904_1_09043.1.3.76add:O~P:-,del:O~P:-Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphateNC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1.NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
4694686212062121; 62122LR; RL3.1.3.73.1.31166unclassified_unique_ec4MCSA_904_1_09043.1.3.76add:O~P:-,del:O~P:-Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate[H][C@]1(COP(=O)([O-])OP(=O)([O-])[O-])O[C@@]([H])(N2C=C(CO)C(N)=NC2=O)C[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C=C1CO.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
4704696233662337; 62338LR; RL3.1.3.73.1.31166unclassified_unique_ec4MCSA_904_1_09043.1.3.76add:O~P:-,del:O~P:-Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphateNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
4714706918069181; 69182LR; RL3.1.3.73.1.31166unclassified_unique_ec4MCSA_904_1_09043.1.3.76add:O~P:-,del:O~P:-Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphateCC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])=C2C)C=N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])[O-])=C2C)C=N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
4724715630056301; 56302LR; RL5.3.4.15.3.42166unclassified_unique_ec4MCSA_512_2_05125.3.4.16add:S~S:-,del:S~S:-Asp95Asp95; Cys101; Cys98Arg125; Asp95; Cys101; Cys98protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B)*N[C@@H](CSS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.[H][S-].[H+]
4734726159661597; 61598LR; RL5.3.4.15.3.42166unclassified_unique_ec4MCSA_512_2_05125.3.4.16add:S~S:-,del:S~S:-Asp95Asp95; Cys101; Cys98Arg125; Asp95; Cys101; Cys98protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B)*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
4744736160061601; 61602LR; RL5.3.4.15.3.42166unclassified_unique_ec4MCSA_512_2_05125.3.4.16add:S~S:-,del:S~S:-Asp95Asp95; Cys101; Cys98Arg125; Asp95; Cys101; Cys98protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B)*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O
4754746160461605; 61606LR; RL5.3.4.15.3.42166unclassified_unique_ec4MCSA_512_2_05125.3.4.16add:S~S:-,del:S~S:-Asp95Asp95; Cys101; Cys98Arg125; Asp95; Cys101; Cys98protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B)*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
4764758626786268; 86269LR; RL5.3.4.15.3.42166unclassified_unique_ec4MCSA_512_2_05125.3.4.16add:S~S:-,del:S~S:-Asp95Asp95; Cys101; Cys98Arg125; Asp95; Cys101; Cys98protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B)*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.[NH3+][C@@H](CS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.[NH3+][C@@H](CSSC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
4774768631586316; 86317LR; RL5.3.4.15.3.42166unclassified_unique_ec4MCSA_512_2_05125.3.4.16add:S~S:-,del:S~S:-Asp95Asp95; Cys101; Cys98Arg125; Asp95; Cys101; Cys98protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B)[NH3+][C@@H](CS)C(=O)NCC(=O)[O-].[NH3+][C@@H](CS)C(=O)NCC(=O)[O-].*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O>>[NH3+][C@@H](CSSC[C@H]([NH3+])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-].*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
4784775031250313; 50314LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCCCC(=O)C(=O)[O-].[H+]>>[H]C(=O)CCC.O=C=O
4794785436454365; 54366LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCC(=O)C(C)O>>[H]C(C)=O.[H]C(C)=O
4804795507255073; 55074LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCCC(=O)C(=O)[O-].[H+]>>[H]C(=O)CC.O=C=O
4814805507655077; 55078LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCSCCC(=O)C(=O)[O-].[H+]>>CSCCC=O.O=C=O
4824815519655197; 55198LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
4834825521255213; 55214LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCCCCCCCCCCCCCC[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
4844836744867449; 67450LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCCCCCCCCCCCCCCCC[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
4854846942469425; 69426LR; RL4.1.2.384.1.22266unclassified_unique_ec4MCSA_221_1_0; MCSA_221_1_12214.1.2.386chg:C~O:->=,del:C~C:-Glu50; His29Glu50; His29Gln113; Glu50; Gly419; His29benzoin -> 2 benzaldehydeCC(C)(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(C)=O
4864857208372084; 72085LR; RL4.6.1.184.6.12266unclassified_unique_ec4MCSA_530_1_0; MCSA_693_1_0530; 6933.1.-.-; 4.6.1.186add:O~P:-,del:O~P:-Glu517; His513; His116; His12Glu517; His513; His116; His12Arg545; Asp510; Glu517; His513; His116; His12; Lys40RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residueNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[H+]>>NC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4O[C@@H]5OP(=O)([O-])O[C@@H]5[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H]O[H]
4874867953179532; 79533LR; RL4.6.1.184.6.12266unclassified_unique_ec4MCSA_530_1_0; MCSA_693_1_0530; 6933.1.-.-; 4.6.1.186add:O~P:-,del:O~P:-Glu517; His513; His116; His12Glu517; His513; His116; His12Arg545; Asp510; Glu517; His513; His116; His12; Lys40RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residueNC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@@H](O)[C@H]2O)C=C1.O=P([O-])([O-])OP(=O)([O-])O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+]
4884878367983680; 83681LR; RL4.6.1.184.6.12266unclassified_unique_ec4MCSA_530_1_0; MCSA_693_1_0530; 6933.1.-.-; 4.6.1.186add:O~P:-,del:O~P:-Glu517; His513; His116; His12Glu517; His513; His116; His12Arg545; Asp510; Glu517; His513; His116; His12; Lys40RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residueNC1=NC=NC2=C1/N=C\N2[C@@H]1O[C@H](COP(=O)([O-])O[C@H]2[C@H](O)[C@@H]([NH3+])[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]5[NH3+])[C@H]4O)[C@@H](O)[C@H]([NH3+])C[C@@H]3[NH3+])O[C@@H]2CO)[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O>>[NH3+]C[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[NH3+])O[C@@H]2CO)[C@H]([NH3+])[C@@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
4894884897248973; 48974LR; RL4.6.1.184.6.14266unclassified_unique_ec4MCSA_530_1_0; MCSA_693_1_0530; 6933.1.-.-; 4.6.1.186add:O~P:-,del:O~P:-Glu517; His513; His116; His12Glu517; His513; His116; His12Arg545; Asp510; Glu517; His513; His116; His12; Lys40RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue[H]OP(O[H])O[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>[H]OP(O[H])O[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+]
4904896835268353; 68354LR; RL4.6.1.184.6.14266unclassified_unique_ec4MCSA_530_1_0; MCSA_693_1_0530; 6933.1.-.-; 4.6.1.186add:O~P:-,del:O~P:-Glu517; His513; His116; His12Glu517; His513; His116; His12Arg545; Asp510; Glu517; His513; His116; His12; Lys40RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residueNC1=NC2=C(/N=C\N2[C@@H]2O[C@H](COP(=O)([O-])O[C@@H]3[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O[C@H]3N3/C=N\C4=C(N)N=CN=C43)[C@@H](O)[C@H]2O)C(=O)N1>>NC1=NC2=C(/N=C\N2[C@@H]2O[C@@H]3COP(=O)([O-])O[C@@H]4[C@H](O)[C@@H](COP(=O)([O-])O[C@H]3[C@H]2O)O[C@H]4N2/C=N\C3=C2N=CN=C3N)C(=O)N1.O=P([O-])([O-])OP(=O)([O-])O
4914904595245953; 45954LR; RL3.2.2.33.2.23366unclassified_unique_ec4MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0713.2.2.36add:C~O:-,del:C~N:-Asp64; His187Asp64; His187Asp64; His187; Phe77; Tyr66water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose*N[C@@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(*)=O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>*N[C@@H](CC(N)=O)C(*)=O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
4924915562455625; 55626LR; RL3.2.2.33.2.23366unclassified_unique_ec4MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0713.2.2.36add:C~O:-,del:C~N:-Asp64; His187Asp64; His187Asp64; His187; Phe77; Tyr66water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose*O[C@H]1C[C@H](N2C=CC(N)=[N+](C)C2=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>CN1C(=O)N=CC=C1N.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-].[H+]
4934925825258253; 58254LR; RL3.2.2.33.2.23366unclassified_unique_ec4MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0713.2.2.36add:C~O:-,del:C~N:-Asp64; His187Asp64; His187Asp64; His187; Phe77; Tyr66water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose*N[C@@H](CC(=O)NC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CC(N)=O)C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
4944938357183572; 83573LR; RL3.2.2.33.2.23366unclassified_unique_ec4MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0713.2.2.36add:C~O:-,del:C~N:-Asp64; His187Asp64; His187Asp64; His187; Phe77; Tyr66water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose*O[C@H]1C[C@H](N2C=CC3=NC=CN3C2=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1N/C=C\C2=NC=CN12.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]