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EVODEX.1-R3369

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
149973 O-acetyl-L-homoserine + ethyl mercaptan = L-thionine + acetate False Lysinibacillus sphaericus nan 2.5.1.48

Derived Partial Reactions

EVODEX.1-P2629

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

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

EVODEX.1-P2630

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:7][C:6]([C:5]([H:29])([H:30])[H:31])([H:27])[H:28]>>[H][S:7][C:6]([C:5]([H:29])([H:30])[H:31])([H:27])[H:28]

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:7][C:6]([C:5]([H:29])([H:30])[H:31])([H:27])[H:28]>>[H][S:7][C:6]([C:5]([H:29])([H:30])[H:31])([H:27])[H:28]