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EVODEX.1-R222

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:14]=[C:15]1[C:16]([H:31])=[C:17]([H:32])[C:18](=[N:19][C:20]2:[C:21]([H:33]):[C:22]([Cl:23]):[C:24]([O:25][H:34]):[C:26]([Cl:27]):[C:28]:2[H:35])[C:29]([H:36])=[C:30]1[H:37].[H][C@@:10]([C@:8]([C@@:6]([C@:4]([C:2](=[O:1])[O:3][H:38])([O:5][H:39])[H:49])([O:7][H:40])[H:48])([O:9][H:41])[H:47])([O:11][H])[C:12]([O:13][H:43])([H:44])[H:45]>>[O:1]=[C:2]([O:3][H:38])[C@:4]([O:5][H:39])([C@@:6]([O:7][H:40])([C@:8]([O:9][H:41])([C:10](=[O:11])[C:12]([O:13][H:43])([H:44])[H:45])[H:47])[H:48])[H:49].[H][O:14][C:15]1:[C:16]([H:31]):[C:17]([H:32]):[C:18]([N:19]([H])[C:20]2:[C:21]([H:33]):[C:22]([Cl:23]):[C:24]([O:25][H:34]):[C:26]([Cl:27]):[C:28]:2[H:35]):[C:29]([H:36]):[C:30]:1[H:37]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
34861 D-gluconate + 2,6-dichlorophenolindophenol = 5-dehydro-D-gluconate + reduced 2,6-dichlorophenolindophenol False Gluconobacter thailandicus M9MJR9 uniprot 1.1.99.22

Derived Partial Reactions

EVODEX.1-P177

[O:14]=[C:15]1[C:16]([H:31])=[C:17]([H:32])[C:18](=[N:19][C:20]2:[C:21]([H:33]):[C:22]([Cl:23]):[C:24]([O:25][H:34]):[C:26]([Cl:27]):[C:28]:2[H:35])[C:29]([H:36])=[C:30]1[H:37].[H][C@@:10]([C@:8]([C@@:6]([C@:4]([C:2](=[O:1])[O:3][H:38])([O:5][H:39])[H:49])([O:7][H:40])[H:48])([O:9][H:41])[H:47])([O:11][H])[C:12]([O:13][H:43])([H:44])[H:45]>>[O:1]=[C:2]([O:3][H:38])[C@:4]([O:5][H:39])([C@@:6]([O:7][H:40])([C@:8]([O:9][H:41])([C:10](=[O:11])[C:12]([O:13][H:43])([H:44])[H:45])[H:47])[H:48])[H:49].[H][O:14][C:15]1:[C:16]([H:31]):[C:17]([H:32]):[C:18]([N:19]([H])[C:20]2:[C:21]([H:33]):[C:22]([Cl:23]):[C:24]([O:25][H:34]):[C:26]([Cl:27]):[C:28]:2[H:35]):[C:29]([H:36]):[C:30]:1[H:37]

[O:14]=[C:15]1[C:16]([H:31])=[C:17]([H:32])[C:18](=[N:19][C:20]2:[C:21]([H:33]):[C:22]([Cl:23]):[C:24]([O:25][H:34]):[C:26]([Cl:27]):[C:28]:2[H:35])[C:29]([H:36])=[C:30]1[H:37].[H][C@@:10]([C@:8]([C@@:6]([C@:4]([C:2](=[O:1])[O:3][H:38])([O:5][H:39])[H:49])([O:7][H:40])[H:48])([O:9][H:41])[H:47])([O:11][H])[C:12]([O:13][H:43])([H:44])[H:45]>>[O:1]=[C:2]([O:3][H:38])[C@:4]([O:5][H:39])([C@@:6]([O:7][H:40])([C@:8]([O:9][H:41])([C:10](=[O:11])[C:12]([O:13][H:43])([H:44])[H:45])[H:47])[H:48])[H:49].[H][O:14][C:15]1:[C:16]([H:31]):[C:17]([H:32]):[C:18]([N:19]([H])[C:20]2:[C:21]([H:33]):[C:22]([Cl:23]):[C:24]([O:25][H:34]):[C:26]([Cl:27]):[C:28]:2[H:35]):[C:29]([H:36]):[C:30]:1[H:37]