SMIRKS
[H][O:16][C:14]([C:12]([C:11]([H:18])([H:19])[H:20])=[O:13])=[O:15].[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)[H:24])[H:25])([H:26])([H:27])[H:28]>>[C:14](=[O:15])=[O:16].[H][C:4]([C:2]([C:1]([H:26])([H:27])[H:28])=[O:3])([C@:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)([C:12]([C:11]([H:18])([H:19])[H:20])=[O:13])[H:24])[H:25]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 109053 | pyruvate + (3E)-4-(thiophen-2-yl)but-3-en-2-one = (3S)-3-(thiophen-2-yl)hexane-2,5-dione + CO2 | False | Serratia marcescens | Q5W251 | uniprot | 2.2.1.12 |
Derived Partial Reactions
EVODEX.1-P1386
![[H]OC(=O)[C:12]([C:11]([H:18])([H:19])[H:20])=[O:13].[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)[H:24])[H:25])([H:26])([H:27])[H:28]>>[H][C:4]([C:2]([C:1]([H:26])([H:27])[H:28])=[O:3])([C@:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)([C:12]([C:11]([H:18])([H:19])[H:20])=[O:13])[H:24])[H:25]](../images/EVODEX.1-P1386.svg)
[H]OC(=O)[C:12]([C:11]([H:18])([H:19])[H:20])=[O:13].[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)[H:24])[H:25])([H:26])([H:27])[H:28]>>[H][C:4]([C:2]([C:1]([H:26])([H:27])[H:28])=[O:3])([C@:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)([C:12]([C:11]([H:18])([H:19])[H:20])=[O:13])[H:24])[H:25]
EVODEX.1-P1387
[C:4](=[C:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)[H:24])[H:25])([H:26])([H:27])[H:28]>>[H]C([H])([H])C(=O)[C@:5]([C:4]([H])([C:2]([C:1]([H:26])([H:27])[H:28])=[O:3])[H:25])([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)[H:24]](../images/EVODEX.1-P1387.svg)
[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)[H:24])[H:25])([H:26])([H:27])[H:28]>>[H]C([H])([H])C(=O)[C@:5]([C:4]([H])([C:2]([C:1]([H:26])([H:27])[H:28])=[O:3])[H:25])([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([H:23]):[S:10]:1)[H:24]