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EVODEX.1-R1896

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:6][C:4]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])=[O:5].[O:7]=[C:8]([C:9](=[C:10]([C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[H:31])[H:32])[H:33])[C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38]>>[C:4](=[O:5])=[O:6].[H][C:9]([C:8](=[O:7])[C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38])([C@@:10]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])([C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[H:31])[H:32])[H:33]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
109048 pyruvate + (2E)-1,3-diphenylprop-2-en-1-one = (3R)-1,3-diphenylpentane-1,4-dione + CO2 False Serratia marcescens Q5W251 uniprot 2.2.1.12

Derived Partial Reactions

EVODEX.1-P1379

[H][O:6][C:4]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])=[O:5].[O:7]=[C:8]([C:9](=[C:10]([C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[H:31])[H:32])[H:33])[C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38]>>[C:4](=[O:5])=[O:6].[H][C:9]([C:8](=[O:7])[C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38])([C@@:10]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])([C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[H:31])[H:32])[H:33]

[H][O:6][C:4]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])=[O:5].[O:7]=[C:8]([C:9](=[C:10]([C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[H:31])[H:32])[H:33])[C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38]>>[C:4](=[O:5])=[O:6].[H][C:9]([C:8](=[O:7])[C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38])([C@@:10]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])([C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[H:31])[H:32])[H:33]

EVODEX.1-P1380

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

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