EVODEX Logo

EVODEX.1-R6214

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]1([C:3]([H:24])([H:25])[H:26])[S:4][C@:5]2([H:27])[C@@:6]([N:7]([C:8](=[O:9])[C:10]([C:11]3:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[S:15]:3)([H:31])[H:32])[H:33])([H:34])[C:16](=[O:17])[N:18]2[C@:19]1([C:20](=[O:21])[O:22][H:35])[H:36])([H:37])([H:38])[H:39].[H][O:23][H:40]>>[C:8](=[O:9])([C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[S:15]:1)([H:31])[H:32])[O:23][H:40].[H][N:7]([C@@:6]1([H:34])[C@@:5]2([H:27])[S:4][C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:24])([H:25])[H:26])[C@@:19]([C:20](=[O:21])[O:22][H:35])([H:36])[N:18]2[C:16]1=[O:17])[H:33]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253179 2-thienylmethylpenicillin + H2O = 6-aminopenicillanate + sulfo-(5-sulfothiophen-2-yl)-acetic acid False Escherichia coli nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5469

[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C:10]([C:11]3:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[S:15]:3)([H:31])[H:32])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:23][H:40]>>[C:8](=[O:9])([C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[S:15]:1)([H:31])[H:32])[O:23][H:40]

[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C:10]([C:11]3:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[S:15]:3)([H:31])[H:32])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:23][H:40]>>[C:8](=[O:9])([C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[S:15]:1)([H:31])[H:32])[O:23][H:40]