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EVODEX.1-R3847

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
157737 S-(4-bromophenyl)-L-cysteine + 4-methylsulfanyl-2-oxobutanoate = S-(4-bromophenyl)-3-thiopyruvate + methionine False Rattus norvegicus nan 2.6.1.75

Derived Partial Reactions

EVODEX.1-P3212

[H]OC(=O)C(C([H])([H])C([H])([H])SC([H])([H])[H])=[O:6].[H]N([H])[C@@:11]([H])([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]>>[O:6]=[C:11]([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]

[H]OC(=O)C(C([H])([H])C([H])([H])SC([H])([H])[H])=[O:6].[H]N([H])[C@@:11]([H])([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]>>[O:6]=[C:11]([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]

EVODEX.1-P3213

[H][C@:11]([N:10]([H:40])[H:41])([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]>>[H]OC(=O)[C@]([H])(C([H])([H])C([H])([H])SC([H])([H])[H])[N:10]([H:40])[H:41].O=[C:11]([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]

[H][C@:11]([N:10]([H:40])[H:41])([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]>>[H]OC(=O)[C@]([H])(C([H])([H])C([H])([H])SC([H])([H])[H])[N:10]([H:40])[H:41].O=[C:11]([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]