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EVODEX.1-R6922

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].[C:7]([O:8][C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([C:14](=[O:15])[H:25]):[C:16]:1[O:17][H:26])([H:27])([H:28])[H:29]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25])[H:19].[H][O:15][H]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
283116 3-methoxysalicylaldehyde + pyruvate = (3E)-4-(2-hydroxy-3-methoxyphenyl)-2-oxobut-3-enoate + H2O False Pseudomonas putida Q51947 swissprot 4.1.2.45

Derived Partial Reactions

EVODEX.1-P6323

[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].O=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25])[H:19]

[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].O=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25])[H:19]