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EVODEX.1-R6669

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([C:6](=[O:7])[C:8]([C:9](=[O:10])[C:11](=[O:12])[O:13][H:19])([H:20])[H:21]):[C:14]([H:22]):[C:15]:1[H:23])([H:24])([H:25])[H:26].[H][O:16][H:27]>>[C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([C:6](=[O:7])[O:16][H:27]):[C:14]([H:22]):[C:15]:1[H:23])([H:24])([H:25])[H:26].[H][C:8]([C:9](=[O:10])[C:11](=[O:12])[O:13][H:19])([H:20])[H:21]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
273414 2,4-diketo-4-(4-methylphenyl)butyrate + H2O = pyruvate + (4-methylphenyl)acetate False Rattus norvegicus nan 3.7.1.2

Derived Partial Reactions

EVODEX.1-P6037

[H]OC(=O)C(=O)C([H])([H])[C:6]([C:5]1:[C:4]([H:18]):[C:3]([H:17]):[C:2]([C:1]([H:24])([H:25])[H:26]):[C:15]([H:23]):[C:14]:1[H:22])=[O:7].[H][O:16][H:27]>>[C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([C:6](=[O:7])[O:16][H:27]):[C:14]([H:22]):[C:15]:1[H:23])([H:24])([H:25])[H:26]

[H]OC(=O)C(=O)C([H])([H])[C:6]([C:5]1:[C:4]([H:18]):[C:3]([H:17]):[C:2]([C:1]([H:24])([H:25])[H:26]):[C:15]([H:23]):[C:14]:1[H:22])=[O:7].[H][O:16][H:27]>>[C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([C:6](=[O:7])[O:16][H:27]):[C:14]([H:22]):[C:15]:1[H:23])([H:24])([H:25])[H:26]