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EVODEX.1-R7113

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
296730 (+)-alliin + H2O = allicin + pyruvate + NH3 False Citrobacter freundii Q84AR1 swissprot 4.4.1.11

Derived Partial Reactions

EVODEX.1-P6535

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:4]([C:3]([C:2](=[C:1]([H:22])[H:23])[H:21])([H:19])[H:20])=[O:5]>>[H][O:5][S:4][C:3]([C:2](=[C:1]([H:22])[H:23])[H:21])([H:19])[H:20]

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:4]([C:3]([C:2](=[C:1]([H:22])[H:23])[H:21])([H:19])[H:20])=[O:5]>>[H][O:5][S:4][C:3]([C:2](=[C:1]([H:22])[H:23])[H:21])([H:19])[H:20]