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EVODEX.1-R3357

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
149887 O3-acetyl-L-serine + phenylmercaptan = S-phenyl-L-cysteine + acetate False Geobacillus stearothermophilus Q84IF9 swissprot 2.5.1.47

Derived Partial Reactions

EVODEX.1-P2621

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

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

EVODEX.1-P2622

[H][S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]

[H][S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]