SMIRKS
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Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 220115 | 3-methylthiopropylglucosinolate + H2O = 3-methylthiopropyl-isothiocyanate + D-glucose | False | Arabidopsis thaliana | nan | 3.2.1.147 |
Derived Partial Reactions
EVODEX.1-P4358
(=[O:11])[O:12][H:26])[S:13][C@:14]1([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46].[H][O:25][H:47]>>[C@@:14]1([O:25][H:47])([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37].[H][S:13][C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:44])([H:45])[H:46])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:26]](../images/EVODEX.1-P4358.svg)
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EVODEX.1-P4359
(=[O:11])[O:12][H:26])[S:13][C@:14]1([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46]>>[H]O[C@:14]1([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37].[H][S:13][C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:44])([H:45])[H:46])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:26]](../images/EVODEX.1-P4359.svg)
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