EVODEX Logo

EVODEX.1-R5202

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
220120 5-methylthiopentylglucosinolate + H2O = 5-methylthiopentyl-isothiocyanate + D-glucose False Arabidopsis thaliana nan 3.2.1.147

Derived Partial Reactions

EVODEX.1-P4362

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

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

EVODEX.1-P4363

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:15][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:50])([H:51])[H:52])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:15][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:50])([H:51])[H:52])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28]

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:15][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:50])([H:51])[H:52])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:15][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:50])([H:51])[H:52])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28]