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EVODEX.1-R6688

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:2]=[C:3]([O:4][H:18])[C:5]([O:6][H:19])=[C:7]([C:8](=[C:9]([C:10](=[O:11])[C:12]1:[C:13]([H:20]):[C:14]([H:21]):[C:15]([H:22]):[C:16]([H:23]):[C:17]:1[H:24])[H:25])[H:26])[H:27].[H][O:1][H:28]>>[H][C:9](=[C:8]([C:7](=[C:5]([C:3](=[O:2])[O:4][H:18])[O:6][H:19])[H:27])[H:26])[H:25].[O:1]([C:10](=[O:11])[C:12]1:[C:13]([H:20]):[C:14]([H:21]):[C:15]([H:22]):[C:16]([H:23]):[C:17]:1[H:24])[H:28]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
273718 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid + H2O = 2-hydroxypenta-2,4-dienoic acid + benzoate True Paraburkholderia xenovorans P47229 uniprot 3.7.1.8

Derived Partial Reactions

EVODEX.1-P6064

[H]OC(=O)C(O[H])=C([H])C([H])=C([H])[C:10](=[O:11])[C:12]1:[C:13]([H:20]):[C:14]([H:21]):[C:15]([H:22]):[C:16]([H:23]):[C:17]:1[H:24]>>[H]O[C:10](=[O:11])[C:12]1:[C:13]([H:20]):[C:14]([H:21]):[C:15]([H:22]):[C:16]([H:23]):[C:17]:1[H:24]

[H]OC(=O)C(O[H])=C([H])C([H])=C([H])[C:10](=[O:11])[C:12]1:[C:13]([H:20]):[C:14]([H:21]):[C:15]([H:22]):[C:16]([H:23]):[C:17]:1[H:24]>>[H]O[C:10](=[O:11])[C:12]1:[C:13]([H:20]):[C:14]([H:21]):[C:15]([H:22]):[C:16]([H:23]):[C:17]:1[H:24]