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EVODEX.1-R7195

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C@@:2]([N:3]([H:44])[H:45])([C:4](=[O:5])[O:6][H:46])[H:47])([H:48])([H:49])[H:50].[H][N:9]([C@:8]([C:7]([H:55])([H:56])[H:57])([C:10](=[O:11])[O:12][H:53])[H:54])[H:51].[N:13]([C:14]1:[N:15]:[C:16]([H:58]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:59]):[N:22]:2[C@:23]1([H:60])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:61])[O:31][P:32](=[O:33])([O:34][H:62])[O:35][P:36](=[O:37])([O:38][H:63])[O:39][H:64])([H:65])[H:66])([H:67])[C@:40]([O:41][H:68])([H:69])[C@:42]1([O:43][H:70])[H:71])([H:72])[H:73]>>[C:1]([C@@:2]([N:3]([H:44])[H:45])([C:4](=[O:5])[N:9]([C@:8]([C:7]([H:55])([H:56])[H:57])([C:10](=[O:11])[O:12][H:53])[H:54])[H:51])[H:47])([H:48])([H:49])[H:50].[H][O:35][P:36](=[O:37])([O:38][H:63])[O:39][H:64].[O:6]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:67])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:58]):[N:15]:[C:14]([N:13]([H:72])[H:73]):[C:19]:3:[N:20]:[C:21]:2[H:59])([H:60])[C@@:42]([O:43][H:70])([H:71])[C@@:40]1([O:41][H:68])[H:69])([H:65])[H:66])(=[O:29])[O:30][H:61])(=[O:33])[O:34][H:62])[H:46]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
315151 D-Ala + D-Ala + ATP = D-Ala-D-Ala + ADP + phosphate False Escherichia coli nan 6.1.2.1

Derived Partial Reactions

EVODEX.1-P6610

[C:1]([C@@:2]([N:3]([H:44])[H:45])([C:4](=[O:5])[O:6][H:46])[H:47])([H:48])([H:49])[H:50]>>[H]OC(=O)[C@]([H])(N([H])[C:4]([C@@:2]([C:1]([H:48])([H:49])[H:50])([N:3]([H:44])[H:45])[H:47])=[O:5])C([H])([H])[H].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:6][H:46]

[C:1]([C@@:2]([N:3]([H:44])[H:45])([C:4](=[O:5])[O:6][H:46])[H:47])([H:48])([H:49])[H:50]>>[H]OC(=O)[C@]([H])(N([H])[C:4]([C@@:2]([C:1]([H:48])([H:49])[H:50])([N:3]([H:44])[H:45])[H:47])=[O:5])C([H])([H])[H].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:6][H:46]