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EVODEX.1-R3647

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
154440 phenylpyruvate + DL-histidine = phenylalanine + 3-(1H-imidazol-4-yl)-2-oxopropanoate {r} False Agrobacterium tumefaciens nan 2.6.1.28

Derived Partial Reactions

EVODEX.1-P2980

[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:1]([H:33])[H:34].O=[C:16]([C:14](=[O:13])[O:15][H:35])[C:18]([C:19]1:[C:20]([H:36]):[N:21]([H:37]):[C:22]([H:38]):[N:23]:1)([H:39])[H:40]>>[H][C:16]([N:1]([H:33])[H:34])([C:14](=[O:13])[O:15][H:35])[C:18]([C:19]1:[C:20]([H:36]):[N:21]([H:37]):[C:22]([H:38]):[N:23]:1)([H:39])[H:40]

[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:1]([H:33])[H:34].O=[C:16]([C:14](=[O:13])[O:15][H:35])[C:18]([C:19]1:[C:20]([H:36]):[N:21]([H:37]):[C:22]([H:38]):[N:23]:1)([H:39])[H:40]>>[H][C:16]([N:1]([H:33])[H:34])([C:14](=[O:13])[O:15][H:35])[C:18]([C:19]1:[C:20]([H:36]):[N:21]([H:37]):[C:22]([H:38]):[N:23]:1)([H:39])[H:40]