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EVODEX.1-R6197

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253028 penicillin F + H2O = 6-aminopenicillanic acid + (3E)-hex-3-enoic acid False Actinoplanes utahensis nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5450

[H]O[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]

[H]O[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]

EVODEX.1-P5451

[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[O:7])[O:8][H:23])([H:24])[H:25])[H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:8][H:23]

[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[O:7])[O:8][H:23])([H:24])[H:25])[H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:8][H:23]