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EVODEX.1-R147

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([O:8][H])[C:9](=[O:10])[O:11][H:30].[O:12]=[C:13]1[C:14]([H:45])=[C:15]([H:46])[C:16](=[N:17][C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49])[C:27]([H:50])=[C:28]1[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:30])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:12][C:13]1:[C:14]([H:45]):[C:15]([H:46]):[C:16]([N:17]([H])[C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49]):[C:27]([H:50]):[C:28]:1[H:51]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
30999 2-hydroxyoctanoate + 2,6-dichlorophenolindophenol = 2-oxo-octanoate + reduced 2,6-dichlorophenolindophenol {r} False Homo sapiens Q9UJM8 swissprot 1.1.3.15

Derived Partial Reactions

EVODEX.1-P111

[H][C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([O:8][H])[C:9](=[O:10])[O:11][H:30].[O:12]=[C:13]1[C:14]([H:45])=[C:15]([H:46])[C:16](=[N:17][C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49])[C:27]([H:50])=[C:28]1[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:30])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:12][C:13]1:[C:14]([H:45]):[C:15]([H:46]):[C:16]([N:17]([H])[C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49]):[C:27]([H:50]):[C:28]:1[H:51]

[H][C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([O:8][H])[C:9](=[O:10])[O:11][H:30].[O:12]=[C:13]1[C:14]([H:45])=[C:15]([H:46])[C:16](=[N:17][C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49])[C:27]([H:50])=[C:28]1[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:30])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:12][C:13]1:[C:14]([H:45]):[C:15]([H:46]):[C:16]([N:17]([H])[C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49]):[C:27]([H:50]):[C:28]:1[H:51]