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EVODEX.1-R6196

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253026 penicillin dihydroF + H2O = 6-aminopenicillanic acid + hexanoic acid False Actinoplanes utahensis nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5449

[C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])=[O:21])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:22][H:23]

[C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])=[O:21])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:22][H:23]