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EVODEX.1-R6683

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]([C:2]1:[C:3]([F:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]:1[C:9](=[O:10])[C:11]([C:12]([N:13]([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])([H:25])[H:26])([H:27])[H:28].[H][O:17][H:29]>>[H][C:11]([C:12]([N:13]([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])([H:25])[H:26].[N:1]([C:2]1:[C:3]([F:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]:1[C:9](=[O:10])[O:17][H:29])([H:27])[H:28]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
273638 3-fluoro-DL-kynurenine + H2O = 3-fluoroanthranilate + DL-alanine False Homo sapiens Q16719 uniprot 3.7.1.3

Derived Partial Reactions

EVODEX.1-P6056

[H]OC(=O)C([H])(N([H])[H])C([H])([H])[C:9]([C:8]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([F:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]:1[H:20])=[O:10]>>[H]O[C:9]([C:8]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([F:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]:1[H:20])=[O:10]

[H]OC(=O)C([H])(N([H])[H])C([H])([H])[C:9]([C:8]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([F:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]:1[H:20])=[O:10]>>[H]O[C:9]([C:8]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([F:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]:1[H:20])=[O:10]