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EVODEX.1-R7844

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C@:4]([N:5]([H:49])[H:50])([C:6](=[O:7])[O:8][H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][N:11]([C@@:10]([C:9]([H:61])([H:62])[H:63])([C:12](=[O:13])[O:14][H:59])[H:60])[H:57].[N:15]([C:16]1:[N:17]:[C:18]([H:64]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:65]):[N:24]:2[C@:25]1([H:66])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:67])[O:33][P:34](=[O:35])([O:36][H:68])[O:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70])([H:71])[H:72])([H:73])[C@:42]([O:43][H:74])([H:75])[C@:44]1([O:45][H:76])[H:77])([H:78])[H:79]>>[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C@:4]([N:5]([H:49])[H:50])([C:6](=[O:7])[N:11]([C@@:10]([C:9]([H:61])([H:62])[H:63])([C:12](=[O:13])[O:14][H:59])[H:60])[H:57])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70].[O:8]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:73])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:64]):[N:17]:[C:16]([N:15]([H:78])[H:79]):[C:21]:3:[N:22]:[C:23]:2[H:65])([H:66])[C@@:44]([O:45][H:76])([H:77])[C@@:42]1([O:43][H:74])[H:75])([H:71])[H:72])(=[O:31])[O:32][H:67])(=[O:35])[O:36][H:68])[H:51]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
320809 ATP + valine + alanine = ADP + phosphate + L-valinyl-L-alanine False Streptococcus mutans nan 6.3.2.49

Derived Partial Reactions

EVODEX.1-P7401

[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C@:4]([N:5]([H:49])[H:50])([C:6](=[O:7])[O:8][H:51])[H:52])[H:53])([H:54])([H:55])[H:56]>>[H]OC(=O)[C@@]([H])(N([H])[C:6]([C@:4]([C:2]([C:1]([H:54])([H:55])[H:56])([C:3]([H:46])([H:47])[H:48])[H:53])([N:5]([H:49])[H:50])[H:52])=[O:7])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:8][H:51]

[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C@:4]([N:5]([H:49])[H:50])([C:6](=[O:7])[O:8][H:51])[H:52])[H:53])([H:54])([H:55])[H:56]>>[H]OC(=O)[C@@]([H])(N([H])[C:6]([C@:4]([C:2]([C:1]([H:54])([H:55])[H:56])([C:3]([H:46])([H:47])[H:48])[H:53])([N:5]([H:49])[H:50])[H:52])=[O:7])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:8][H:51]