SMIRKS
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].[C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([C:12](=[O:13])[H:22]):[C:14]([H:23]):[C:15]:1[H:24])([H:25])([H:26])[H:27]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22])[H:17].[H][O:13][H]
Source Database Data
Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
---|---|---|---|---|---|---|
283128 | p-tolualdehyde + pyruvate = (3E)-4-(4-methylphenyl)-2-oxobut-3-enoate + H2O | False | Pseudomonas putida | Q51947 | swissprot | 4.1.2.45 |
Derived Partial Reactions
EVODEX.1-P6336
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].O=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22])[H:17]