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EVODEX.1-R1897

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:6][C:4]([C:2]([C:1]([H:25])([H:26])[H:27])=[O:3])=[O:5].[O:7]=[C:8]([C:9](=[C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[O:17][H:32])[H:33])[H:34])[C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39]>>[C:4](=[O:5])=[O:6].[H][C:9]([C:8](=[O:7])[C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39])([C@@:10]([C:2]([C:1]([H:25])([H:26])[H:27])=[O:3])([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[O:17][H:32])[H:33])[H:34]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
109049 pyruvate + (2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one = (3R)-3-(2-hydroxyphenyl)-1-phenylpentane-1,4-dione + CO2 False Serratia marcescens Q5W251 uniprot 2.2.1.12

Derived Partial Reactions

EVODEX.1-P1381

[H][O:6][C:4]([C:2]([C:1]([H:25])([H:26])[H:27])=[O:3])=[O:5].[O:7]=[C:8]([C:9](=[C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[O:17][H:32])[H:33])[H:34])[C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39]>>[C:4](=[O:5])=[O:6].[H][C:9]([C:8](=[O:7])[C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39])([C@@:10]([C:2]([C:1]([H:25])([H:26])[H:27])=[O:3])([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[O:17][H:32])[H:33])[H:34]

[H][O:6][C:4]([C:2]([C:1]([H:25])([H:26])[H:27])=[O:3])=[O:5].[O:7]=[C:8]([C:9](=[C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[O:17][H:32])[H:33])[H:34])[C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39]>>[C:4](=[O:5])=[O:6].[H][C:9]([C:8](=[O:7])[C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39])([C@@:10]([C:2]([C:1]([H:25])([H:26])[H:27])=[O:3])([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[O:17][H:32])[H:33])[H:34]