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EVODEX.1-R4169

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
174628 ITP + acetate = IDP + acetyl phosphate {r} False Salmonella enterica subsp. enterica serovar Typhimurium nan 2.7.2.1

Derived Partial Reactions

EVODEX.1-P3482

[H][O:4][C:2]([C:1]([H:37])([H:38])[H:39])=[O:3].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:28](=[O:29])([O:30][H:46])[O:31][H:47]>>[C:1]([C:2](=[O:3])[O:4][P:28](=[O:29])([O:30][H:46])[O:31][H:47])([H:37])([H:38])[H:39]

[H][O:4][C:2]([C:1]([H:37])([H:38])[H:39])=[O:3].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:28](=[O:29])([O:30][H:46])[O:31][H:47]>>[C:1]([C:2](=[O:3])[O:4][P:28](=[O:29])([O:30][H:46])[O:31][H:47])([H:37])([H:38])[H:39]