SMIRKS
[H][O:6][C:4]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])=[O:5].[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:4](=[O:5])=[O:6].[H][O:15][C@@:14]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])([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]
Source Database Data
Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
---|---|---|---|---|---|---|
109720 | 4-isopropylbenzaldehyde + pyruvate = (R)-1-hydroxy-1-(4-isopropylphenyl)propan-2-one + CO2 | False | Azoarcus sp. | nan | 2.2.1.6 |
Derived Partial Reactions
EVODEX.1-P1397
[H][O:6][C:4]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])=[O:5].[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:4](=[O:5])=[O:6].[H][O:15][C@@:14]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])([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]
EVODEX.1-P1398
[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]>>[H]C([H])([H])C(=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])([O:15][H])[H:27]