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EVODEX.1-R3821

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

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-P3174

[C:1]([C:2]([C:3]([H:22])([H:23])[H:24])([S:4][H:25])[C:5](=[O:6])[C:7](=[O:8])[O:9][H:26])([H:27])([H:28])[H:29]>>[H]N([H])[C:5]([H])([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])[C:7](=[O:8])[O:9][H:26].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:6]

[C:1]([C:2]([C:3]([H:22])([H:23])[H:24])([S:4][H:25])[C:5](=[O:6])[C:7](=[O:8])[O:9][H:26])([H:27])([H:28])[H:29]>>[H]N([H])[C:5]([H])([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])[C:7](=[O:8])[O:9][H:26].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:6]