SMIRKS
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].[C:7]([C:8]([C:9]([H:22])([H:23])[H:24])([C:10]1:[C:11]([H:25]):[C:12]([H:26]):[C:13]([C:14](=[O:15])[H:27]):[C:16]([H:28]):[C:17]:1[H:29])[H:30])([H:31])([H:32])[H:33]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])[H:27])[H:19].[H][O:15][H]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 283122 | 4-isopropylbenzaldehyde + pyruvate = (3E)-4-[4-(1-methylethyl)phenyl]-2-oxobut-3-enoate + H2O | False | Pseudomonas putida | Q51947 | swissprot | 4.1.2.45 |
Derived Partial Reactions
EVODEX.1-P6331
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O=[C:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])[H:27]>>[H]OC(=O)C(=O)C([H])=[C:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])[H:27]