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EVODEX.1-R3820

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
157453 DL-penicillamine + phenylpyruvate = 3-methyl-3-mercapto-2-oxo-butanoate + L-phenylalanine {r} False Bos taurus nan 2.6.1.64

Derived Partial Reactions

EVODEX.1-P3173

[H][C:5]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])([N:6]([H:26])[H:27])[C:7](=[O:8])[O:9][H:28]>>O=[C:5]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])[C:7](=[O:8])[O:9][H:28].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:6]([H:26])[H:27]

[H][C:5]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])([N:6]([H:26])[H:27])[C:7](=[O:8])[O:9][H:28]>>O=[C:5]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])[C:7](=[O:8])[O:9][H:28].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:6]([H:26])[H:27]