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EVODEX.1-R6686

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:8]([C:9]([C:10]([H:13])([H:14])[H:15])=[O:11])([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:12][H:29]>>[C:9]([C:10]([H:13])([H:14])[H:15])(=[O:11])[O:12][H:29].[H][C:8]([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])=[O:7])([H:16])[H:17]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
273709 2,4-nonanedione + H2O = acetic acid + 2-heptanone False Pseudomonas sp. nan 3.7.1.7

Derived Partial Reactions

EVODEX.1-P6061

[H]C([H])([H])C(=O)[C:8]([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])=[O:7])([H:16])[H:17]>>[H][C:8]([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])=[O:7])([H:16])[H:17]

[H]C([H])([H])C(=O)[C:8]([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])=[O:7])([H:16])[H:17]>>[H][C:8]([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])=[O:7])([H:16])[H:17]

EVODEX.1-P6062

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:8]([C:9]([C:10]([H:13])([H:14])[H:15])=[O:11])([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[C:9]([C:10]([H:13])([H:14])[H:15])=[O:11].[H][C:8]([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])=[O:7])([H:16])[H:17]

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:8]([C:9]([C:10]([H:13])([H:14])[H:15])=[O:11])([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[C:9]([C:10]([H:13])([H:14])[H:15])=[O:11].[H][C:8]([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])=[O:7])([H:16])[H:17]