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EVODEX.1-R1680

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
105646 S-adenosyl-L-methionine + (3,4-dihydroxyphenyl)acetic acid = S-adenosyl-L-homocysteine + (4-hydroxy-3-methoxyphenyl)acetic acid + (3-hydroxy-4-methoxyphenyl)acetic acid False Rattus norvegicus P22734 uniprot 2.1.1.6

Derived Partial Reactions

EVODEX.1-P1224

[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]

[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:37])[H:38])([C:7](=[O:8])[O:9][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:10]([C@@:11]1([H:45])[O:12][C@:13]([N:14]2:[C:15]([H:46]):[N:16]:[C:17]3:[C:18]([N:19]([H:47])[H:48]):[N:20]:[C:21]([H:49]):[N:22]:[C:23]:2:3)([H:50])[C@@:24]([O:25][H:51])([H:52])[C@@:26]1([O:27][H:53])[H:54])([H:55])[H:56]