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EVODEX.1-R7115

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C@@:7]([C:6]([S@:4]([C:3]([C:2](=[C:1]([H:21])[H:22])[H:20])([H:18])[H:19])=[O:5])([H:16])[H:17])([N:8]([H:12])[H:13])[C:9](=[O:10])[O:11][H:14]>>[H][O:5][S:4][C:3]([C:2](=[C:1]([H:21])[H:22])[H:20])([H:18])[H:19].[C:6](=[C:7]([N:8]([H:12])[H:13])[C:9](=[O:10])[O:11][H:14])([H:16])[H:17]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
297594 (-)-alliin = allicin + pyruvic acid + NH3 True Ensifer adhaerens nan 4.4.1.4

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]

EVODEX.1-P6537

[H][C@@:7]([C:6]([S@:4]([C:3]([C:2](=[C:1]([H:21])[H:22])[H:20])([H:18])[H:19])=[O:5])([H:16])[H:17])([N:8]([H:12])[H:13])[C:9](=[O:10])[O:11][H:14]>>[H][O:5][S:4][C:3]([C:2](=[C:1]([H:21])[H:22])[H:20])([H:18])[H:19].[C:6](=[C:7]([N:8]([H:12])[H:13])[C:9](=[O:10])[O:11][H:14])([H:16])[H:17]

[H][C@@:7]([C:6]([S@:4]([C:3]([C:2](=[C:1]([H:21])[H:22])[H:20])([H:18])[H:19])=[O:5])([H:16])[H:17])([N:8]([H:12])[H:13])[C:9](=[O:10])[O:11][H:14]>>[H][O:5][S:4][C:3]([C:2](=[C:1]([H:21])[H:22])[H:20])([H:18])[H:19].[C:6](=[C:7]([N:8]([H:12])[H:13])[C:9](=[O:10])[O:11][H:14])([H:16])[H:17]