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EVODEX.1-R5204

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30])[S:17][C@:18]1([H:31])[O:19][C@@:20]([C:21]([O:22][H:32])([H:33])[H:34])([H:35])[C@:23]([O:24][H:36])([H:37])[C@@:25]([O:26][H:38])([H:39])[C@:27]1([O:28][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[H][O:29][H:59]>>[C@@:18]1([O:29][H:59])([H:31])[O:19][C@@:20]([C:21]([O:22][H:32])([H:33])[H:34])([H:35])[C@:23]([O:24][H:36])([H:37])[C@@:25]([O:26][H:38])([H:39])[C@:27]1([O:28][H:40])[H:41].[H][S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
220122 7-methylthioheptylglucosinolate + H2O = 7-methylthioheptyl-isothiocyanate + D-glucose False Arabidopsis thaliana nan 3.2.1.147

Derived Partial Reactions

EVODEX.1-P4365

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30]

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30]