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EVODEX.1-R4567

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
189640 adenosine 2',3'-cyclic phosphate 5'-phosphate + 4-nitrophenyl sulfate = adenosine 2',3'-cyclic phosphate 5'-phosphate 5'-sulfate + 4-nitrophenol False Rattus norvegicus nan 2.8.2.1

Derived Partial Reactions

EVODEX.1-P3728

[H]OS(=O)(=O)[O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]>>[H][O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]

[H]OS(=O)(=O)[O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]>>[H][O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]