EVODEX Logo

EVODEX.1-R7126

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C@:8]([C:7]1:[C:6]([H:35]):[C:5]([H:34]):[C:4]([H:33]):[C:3]([O:2][C:1]([H:55])([H:56])[H:57]):[C:32]:1[H:54])([O:9][H])[C:10](=[O:11])[S:12][C:13]([C@:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([C@:20]([N:21]([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])([C:25](=[O:26])[N:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]>>[H][C:10]([C:8]([C:7]1:[C:6]([H:35]):[C:5]([H:34]):[C:4]([H:33]):[C:3]([O:2][C:1]([H:55])([H:56])[H:57]):[C:32]:1[H:54])=[O:9])=[O:11].[H][S:12][C:13]([C@:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([C@:20]([N:21]([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])([C:25](=[O:26])[N:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
298083 glutathione + m-methoxyphenylglyoxal = S-(3-methoxy)mandeloylglutathione False Rattus norvegicus nan 4.4.1.5

Derived Partial Reactions

EVODEX.1-P6549

[H][C@:8]([C:7]1:[C:6]([H:35]):[C:5]([H:34]):[C:4]([H:33]):[C:3]([O:2][C:1]([H:55])([H:56])[H:57]):[C:32]:1[H:54])([O:9][H])[C:10](=[O:11])[S:12][C:13]([C@:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([C@:20]([N:21]([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])([C:25](=[O:26])[N:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]>>[H][C:10]([C:8]([C:7]1:[C:6]([H:35]):[C:5]([H:34]):[C:4]([H:33]):[C:3]([O:2][C:1]([H:55])([H:56])[H:57]):[C:32]:1[H:54])=[O:9])=[O:11].[H][S:12][C:13]([C@:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([C@:20]([N:21]([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])([C:25](=[O:26])[N:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]

[H][C@:8]([C:7]1:[C:6]([H:35]):[C:5]([H:34]):[C:4]([H:33]):[C:3]([O:2][C:1]([H:55])([H:56])[H:57]):[C:32]:1[H:54])([O:9][H])[C:10](=[O:11])[S:12][C:13]([C@:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([C@:20]([N:21]([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])([C:25](=[O:26])[N:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]>>[H][C:10]([C:8]([C:7]1:[C:6]([H:35]):[C:5]([H:34]):[C:4]([H:33]):[C:3]([O:2][C:1]([H:55])([H:56])[H:57]):[C:32]:1[H:54])=[O:9])=[O:11].[H][S:12][C:13]([C@:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([C@:20]([N:21]([H:37])[H:38])([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])([C:25](=[O:26])[N:27]([C:28]([C:29](=[O:30])[O:31][H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]