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EVODEX.1-R3605

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C@:16]([C:15]([H:25])([H:26])[H:27])([N:17]([H:21])[H:22])[C:18](=[O:19])[O:20][H:23].[C:1]([O:2][C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([C:7]([C:8]([C:9]([C:10]([H:30])([H:31])[H:32])=[O:11])([H:33])[H:34])([H:35])[H:36]):[C:12]([H:37]):[C:13]:1[O:14][H:38])([H:39])([H:40])[H:41]>>[H][C@:9]([C:8]([C:7]([C:6]1:[C:5]([H:29]):[C:4]([H:28]):[C:3]([O:2][C:1]([H:39])([H:40])[H:41]):[C:13]([O:14][H:38]):[C:12]:1[H:37])([H:35])[H:36])([H:33])[H:34])([C:10]([H:30])([H:31])[H:32])[N:17]([H:21])[H:22].[O:11]=[C:16]([C:15]([H:25])([H:26])[H:27])[C:18](=[O:19])[O:20][H:23]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
154194 4-(3-hydroxy-4-methoxyphenyl)butan-2-one + D-alanine = 5-[(3R)-3-aminobutyl]-2-methoxyphenol + pyruvate False Penicillium chrysogenum nan 2.6.1.21

Derived Partial Reactions

EVODEX.1-P2926

[C:1]([O:2][C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([C:7]([C:8]([C:9]([C:10]([H:30])([H:31])[H:32])=[O:11])([H:33])[H:34])([H:35])[H:36]):[C:12]([H:37]):[C:13]:1[O:14][H:38])([H:39])([H:40])[H:41]>>[H]N([H])[C@@:9]([H])([C:8]([C:7]([C:6]1:[C:5]([H:29]):[C:4]([H:28]):[C:3]([O:2][C:1]([H:39])([H:40])[H:41]):[C:13]([O:14][H:38]):[C:12]:1[H:37])([H:35])[H:36])([H:33])[H:34])[C:10]([H:30])([H:31])[H:32].[H]OC(=O)C(C([H])([H])[H])=[O:11]

[C:1]([O:2][C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]([C:7]([C:8]([C:9]([C:10]([H:30])([H:31])[H:32])=[O:11])([H:33])[H:34])([H:35])[H:36]):[C:12]([H:37]):[C:13]:1[O:14][H:38])([H:39])([H:40])[H:41]>>[H]N([H])[C@@:9]([H])([C:8]([C:7]([C:6]1:[C:5]([H:29]):[C:4]([H:28]):[C:3]([O:2][C:1]([H:39])([H:40])[H:41]):[C:13]([O:14][H:38]):[C:12]:1[H:37])([H:35])[H:36])([H:33])[H:34])[C:10]([H:30])([H:31])[H:32].[H]OC(=O)C(C([H])([H])[H])=[O:11]