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EVODEX.1-R4561

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
189373 3'-phosphoadenylylsulfate + benzyl alcohol = adenosine 3',5'-bisphosphate + benzyl sulfate False Homo sapiens P0DMM9 swissprot 2.8.2.1

Derived Partial Reactions

EVODEX.1-P3732

[H][O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61]>>[H]OS(=O)(=O)[O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61]

[H][O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61]>>[H]OS(=O)(=O)[O:32][C:33]([C:34]1:[C:35]([H:55]):[C:36]([H:56]):[C:37]([H:57]):[C:38]([H:58]):[C:39]:1[H:59])([H:60])[H:61]