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EVODEX.1-R726

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])=[O:9].[O:11]=[O:12].[H][O:10][H:29]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:29])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][O:11][O:12][H]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
70207 octylaldehyde + H2O + O2 = octanoate + H2O2 False Pseudomonas sp. nan 1.2.3.1

Derived Partial Reactions

EVODEX.1-P59

[H][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:68])([H:69])[H:70])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])=[O:9].[H][O:54][H:99]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:54][H:99])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])([H:69])[H:70]

[H][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:68])([H:69])[H:70])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])=[O:9].[H][O:54][H:99]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:54][H:99])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])([H:69])[H:70]