EVODEX Logo

EVODEX.1-R6212

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][N:7]([C@@:6]1([H:32])[C@@:5]2([H:29])[S:4][C:2]([C:1]([H:35])([H:36])[H:37])([C:3]([H:26])([H:27])[H:28])[C@@:11]([C:12](=[O:13])[O:14][H:33])([H:34])[N:10]2[C:8]1=[O:9])[H:30].[O:15]=[C:16]([O:17][H:38])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[O:25][H:43])([H:44])[H:45]>>[C:1]([C:2]1([C:3]([H:26])([H:27])[H:28])[S:4][C@:5]2([H:29])[C@@:6]([N:7]([C:16](=[O:15])[C:18]([C:19]3:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:3[O:25][H:43])([H:44])[H:45])[H:30])([H:32])[C:8](=[O:9])[N:10]2[C@:11]1([C:12](=[O:13])[O:14][H:33])[H:34])([H:35])([H:36])[H:37].[H][O:17][H:38]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253176 DL-alpha-hydroxybenzylpenicillin + H2O = 6-aminopenicillanate + DL-alpha-hydroxyphenylacetic acid False Escherichia coli nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5467

[O:15]=[C:16]([O:17][H:38])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[O:25][H:43])([H:44])[H:45]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:16](=[O:15])[C:18]([C:19]3:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:3[O:25][H:43])([H:44])[H:45])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:17][H:38]

[O:15]=[C:16]([O:17][H:38])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[O:25][H:43])([H:44])[H:45]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:16](=[O:15])[C:18]([C:19]3:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:3[O:25][H:43])([H:44])[H:45])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:17][H:38]