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EVODEX.1-R5059

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
211570 2-chloro-2'-deoxyadenosine monophosphate + H2O = 2-chloro-2'-deoxyadenosine + phosphate False Homo sapiens Q9BXI3 swissprot 3.1.3.5

Derived Partial Reactions

EVODEX.1-P4211

[H]OP(=O)(O[H])O[C:14]1([H:31])[C:13]([H:27])([H:28])[C@@:12]([N:11]2:[C:7]3:[N:6]:[C:4]([Cl:5]):[N:3]:[C:2]([N:1]([H:36])[H:37]):[C:8]:3:[N:9]:[C:10]:2[H:25])([H:26])[O:23][C@@:20]1([C:21]([O:22][H:32])([H:33])[H:34])[H:35]>>[H]O[C@@:14]1([H:31])[C:13]([H:27])([H:28])[C@@:12]([N:11]2:[C:7]3:[N:6]:[C:4]([Cl:5]):[N:3]:[C:2]([N:1]([H:36])[H:37]):[C:8]:3:[N:9]:[C:10]:2[H:25])([H:26])[O:23][C@@:20]1([C:21]([O:22][H:32])([H:33])[H:34])[H:35]

[H]OP(=O)(O[H])O[C:14]1([H:31])[C:13]([H:27])([H:28])[C@@:12]([N:11]2:[C:7]3:[N:6]:[C:4]([Cl:5]):[N:3]:[C:2]([N:1]([H:36])[H:37]):[C:8]:3:[N:9]:[C:10]:2[H:25])([H:26])[O:23][C@@:20]1([C:21]([O:22][H:32])([H:33])[H:34])[H:35]>>[H]O[C@@:14]1([H:31])[C:13]([H:27])([H:28])[C@@:12]([N:11]2:[C:7]3:[N:6]:[C:4]([Cl:5]):[N:3]:[C:2]([N:1]([H:36])[H:37]):[C:8]:3:[N:9]:[C:10]:2[H:25])([H:26])[O:23][C@@:20]1([C:21]([O:22][H:32])([H:33])[H:34])[H:35]