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EVODEX.1-R4970

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])([H:22])[H:23].[H][O:11][C:10]([C:9]([H:27])([H:28])[H:29])([H:25])[H:26]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:11][C:10]([C:9]([H:27])([H:28])[H:29])([H:25])[H:26])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])([H:22])[H:23].[H][O:8][H:12]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
201370 ethanol + caproate = ethyl caproate + H2O False Thermobifida fusca nan 3.1.1.74

Derived Partial Reactions

EVODEX.1-P4130

[H]O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:21])([H:22])[H:23])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])=[O:7].[H][O:11][C:10]([C:9]([H:27])([H:28])[H:29])([H:25])[H:26]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:11][C:10]([C:9]([H:27])([H:28])[H:29])([H:25])[H:26])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])([H:22])[H:23]

[H]O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:21])([H:22])[H:23])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])=[O:7].[H][O:11][C:10]([C:9]([H:27])([H:28])[H:29])([H:25])[H:26]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:11][C:10]([C:9]([H:27])([H:28])[H:29])([H:25])[H:26])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])([H:22])[H:23]