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EVODEX.1-R1899

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:6][C:4]([C:2]([C:1]([H:22])([H:23])[H:24])=[O:3])=[O:5].[C:7]([O:8][C:9]1:[C:10]([H:25]):[C:11]([C:12](=[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])=[O:16])[H:29])[H:30]):[C:17]([H:31]):[C:18]([H:32]):[C:19]:1[O:20][H:33])([H:34])([H:35])[H:36]>>[C:4](=[O:5])=[O:6].[H][C:13]([C@@:12]([C:2]([C:1]([H:22])([H:23])[H:24])=[O:3])([C:11]1:[C:10]([H:25]):[C:9]([O:8][C:7]([H:34])([H:35])[H:36]):[C:19]([O:20][H:33]):[C:18]([H:32]):[C:17]:1[H:31])[H:30])([C:14]([C:15]([H:26])([H:27])[H:28])=[O:16])[H:29]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
109051 pyruvate + (3E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one = (3R)-3-(4-hydroxy-3-methoxyphenyl)hexane-2,5-dione + CO2 False Serratia marcescens Q5W251 uniprot 2.2.1.12

Derived Partial Reactions

EVODEX.1-P1385

[C:7]([O:8][C:9]1:[C:10]([H:25]):[C:11]([C:12](=[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])=[O:16])[H:29])[H:30]):[C:17]([H:31]):[C:18]([H:32]):[C:19]:1[O:20][H:33])([H:34])([H:35])[H:36]>>[H]C([H])([H])C(=O)[C@@:12]([C:11]1:[C:10]([H:25]):[C:9]([O:8][C:7]([H:34])([H:35])[H:36]):[C:19]([O:20][H:33]):[C:18]([H:32]):[C:17]:1[H:31])([C:13]([H])([C:14]([C:15]([H:26])([H:27])[H:28])=[O:16])[H:29])[H:30]

[C:7]([O:8][C:9]1:[C:10]([H:25]):[C:11]([C:12](=[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])=[O:16])[H:29])[H:30]):[C:17]([H:31]):[C:18]([H:32]):[C:19]:1[O:20][H:33])([H:34])([H:35])[H:36]>>[H]C([H])([H])C(=O)[C@@:12]([C:11]1:[C:10]([H:25]):[C:9]([O:8][C:7]([H:34])([H:35])[H:36]):[C:19]([O:20][H:33]):[C:18]([H:32]):[C:17]:1[H:31])([C:13]([H])([C:14]([C:15]([H:26])([H:27])[H:28])=[O:16])[H:29])[H:30]