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EVODEX.1-R3835

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([H:25])([H:26])[H:27])([C:5](=[O:6])[C:7](=[O:8])[O:9][H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][C@@:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:45])[H:46]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([H:37]):[C:15]:1[H:38])=[O:18])([H:43])[H:44])([N:21]([H:39])[H:40])[C:22](=[O:23])[O:24][H:41]>>[H][C:5]([C:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([C:4]([H:25])([H:26])[H:27])[H:29])([C:7](=[O:8])[O:9][H:28])[N:21]([H:39])[H:40].[O:6]=[C:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:45])[H:46]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([H:37]):[C:15]:1[H:38])=[O:18])([H:43])[H:44])[C:22](=[O:23])[O:24][H:41]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
157665 L-kynurenine + 3-methyl-2-oxopentanoate = kynurenic acid + L-isoleucine + H2O False Neurospora crassa nan 2.6.1.7

Derived Partial Reactions

EVODEX.1-P3194

[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[O:6].[H]N([H])[C@@:20]([H])([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:45])[H:46]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([H:37]):[C:15]:1[H:38])=[O:18])([H:43])[H:44])[C:22](=[O:23])[O:24][H:41]>>[O:6]=[C:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:45])[H:46]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([H:37]):[C:15]:1[H:38])=[O:18])([H:43])[H:44])[C:22](=[O:23])[O:24][H:41]

[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[O:6].[H]N([H])[C@@:20]([H])([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:45])[H:46]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([H:37]):[C:15]:1[H:38])=[O:18])([H:43])[H:44])[C:22](=[O:23])[O:24][H:41]>>[O:6]=[C:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:45])[H:46]):[C:12]([H:35]):[C:13]([H:36]):[C:14]([H:37]):[C:15]:1[H:38])=[O:18])([H:43])[H:44])[C:22](=[O:23])[O:24][H:41]