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EVODEX.1-R3589

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
153634 4-amino-4-(4-methylphenyl)butanoic acid + pyruvate = 4-oxo-4-(4-methylphenyl)butanoate + L-alanine False Sphaerobacter thermophilus D1C218 uniprot 2.6.1.18

Derived Partial Reactions

EVODEX.1-P2907

[H]OC(=O)C(C([H])([H])[H])=[O:3].[H]N([H])[C:12]([H])([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]>>[O:3]=[C:12]([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]

[H]OC(=O)C(C([H])([H])[H])=[O:3].[H]N([H])[C:12]([H])([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]>>[O:3]=[C:12]([C:11]1:[C:10]([H:26]):[C:9]([H:25]):[C:8]([C:7]([H:37])([H:38])[H:39]):[C:20]([H:36]):[C:19]:1[H:35])[C:14]([C:15]([C:16](=[O:17])[O:18][H:29])([H:30])[H:31])([H:32])[H:33]