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EVODEX.1-R6213

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]1([C:3]([H:28])([H:29])[H:30])[S:4][C:5]2([H:31])[C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([C:12]3:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:3[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])[C:20](=[O:21])[N:22]2[C:23]1([C:24](=[O:25])[O:26][H:46])[H:47])([H:48])([H:49])[H:50].[H][O:27][H:51]>>[C:8](=[O:9])([C:10]([C:11]([C:12]1:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:1[H:39])([H:40])[H:41])([H:42])[H:43])[O:27][H:51].[H][N:7]([C:6]1([H:45])[C:5]2([H:31])[S:4][C:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:28])([H:29])[H:30])[C:23]([C:24](=[O:25])[O:26][H:46])([H:47])[N:22]2[C:20]1=[O:21])[H:44]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253177 D-alpha-aminobenzylpenicillin + H2O = 6-aminopenicillanate + DL-alpha-aminophenylacetic acid False Escherichia coli nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5468

[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:8](=[O:9])[C:10]([C:11]([C:12]3:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:3[H:39])([H:40])[H:41])([H:42])[H:43])C2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:8](=[O:9])[C:10]([C:11]([C:12]1:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:1[H:39])([H:40])[H:41])([H:42])[H:43]

[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:8](=[O:9])[C:10]([C:11]([C:12]3:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:3[H:39])([H:40])[H:41])([H:42])[H:43])C2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:8](=[O:9])[C:10]([C:11]([C:12]1:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:1[H:39])([H:40])[H:41])([H:42])[H:43]