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EVODEX.1-R6193

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[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:8](=[O:9])[C:10]([O:11][C:12]3:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:3[H:34])([H:35])[H:36])[H:37])([H:38])[C:18](=[O:19])[N:20]2[C@:21]1([C:22](=[O:23])[O:24][H:39])[H:40])([H:41])([H:42])[H:43].[H][O:25][H:44]>>[C:8](=[O:9])([C:10]([O:11][C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36])[O:25][H:44].[H][N:7]([C@@:6]1([H:38])[C@@:5]2([H:29])[S:4][C:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:26])([H:27])[H:28])[C@@:21]([C:22](=[O:23])[O:24][H:39])([H:40])[N:20]2[C:18]1=[O:19])[H:37]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
252992 penicillin V + H2O = 6-aminopenicillanic acid + phenoxyacetic acid True Streptomyces lavendulae nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5444

[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C:10]([O:11][C:12]3:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:3[H:34])([H:35])[H:36])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:8](=[O:9])[C:10]([O:11][C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36]

[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C:10]([O:11][C:12]3:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:3[H:34])([H:35])[H:36])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:8](=[O:9])[C:10]([O:11][C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36]