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EVODEX.1-R5172

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]#[C:2][C@@:3]([O:4][C@:5]1([H:23])[O:6][C@@:7]([C:8]([O:9][H:24])([H:25])[H:26])([H:27])[C@:10]([O:11][H:28])([H:29])[C@@:12]([O:13][H:30])([H:31])[C@:14]1([O:15][H:32])[H:33])([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])[H:39].[H][O:22][H:40]>>[N:1]#[C:2][C:3]([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])([O:22][H:40])[H:39].[H][O:4][C:5]1([H:23])[O:6][C@@:7]([C:8]([O:9][H:24])([H:25])[H:26])([H:27])[C@:10]([O:11][H:28])([H:29])[C@@:12]([O:13][H:30])([H:31])[C@:14]1([O:15][H:32])[H:33]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
218757 sambunigrin + H2O = D-glucose + mandelonitrile False Penicillium aurantiogriseum nan 3.2.1.117

Derived Partial Reactions

EVODEX.1-P4326

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@:3]([C:2]#[N:1])([C:16]2:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:2[H:38])[H:39])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H]O[C:3]([C:2]#[N:1])([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])[H:39]

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@:3]([C:2]#[N:1])([C:16]2:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:2[H:38])[H:39])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H]O[C:3]([C:2]#[N:1])([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])[H:39]