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EVODEX.1-R1028

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:43])[O:11][H:44])([H:45])[H:46]):[C:4]([H:42]):[N:3]:[C:2]([C:1]([H:74])([H:75])[H:76]):[C:37]:1[O:38][H:73])([N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70])[H:71].[O:40]=[O:41].[H][O:39][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:42]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:43])[O:11][H:44])([H:45])[H:46]):[C:12]([C:13](=[O:39])[H:71]):[C:37]:1[O:38][H:73])([H:74])([H:75])[H:76].[H][N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[H][O:40][O:41][H]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
86961 N-(5'-phospho-4'-pyridoxyl)-N'-(dansyl)pentylenediamine + H2O + O2 = pyridoxal 5'-phosphate + N-(dansyl)pentylenediamine + H2O2 False Oryctolagus cuniculus nan 1.4.3.5

Derived Partial Reactions

EVODEX.1-P1090

[H]OC1:C(C([H])([H])[H]):N:C([H]):C(C([H])([H])OP(=O)(O[H])O[H]):C:1C([H])([H])[N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[O:40]=[O:41]>>[H][N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[H][O:40][O:41][H]

[H]OC1:C(C([H])([H])[H]):N:C([H]):C(C([H])([H])OP(=O)(O[H])O[H]):C:1C([H])([H])[N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[O:40]=[O:41]>>[H][N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[H][O:40][O:41][H]