SMIRKS
[C:1](=[C:2]([C@:3]([O:4][H:26])([C:5]([C:6](=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27])[S:13][C@:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44].[H][O:25][H:45]>>[H][S:13][C:6]([C:5]([C@:3]([C:2](=[C:1]([H:43])[H:44])[H:42])([O:4][H:26])[H:41])([H:39])[H:40])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27].[C:14]1([O:25][H:45])([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 220077 | progoitrin + H2O = (1E,3S)-3-hydroxy-n-(sulfooxy)pent-4-enimidothioic acid + D-glucose | False | Crambe hispanica subsp. abyssinica | nan | 3.2.1.147 |
Derived Partial Reactions
EVODEX.1-P4356
([C:5]([C:6](=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27])[S:13][C@:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44]>>[H][S:13][C:6]([C:5]([C@:3]([C:2](=[C:1]([H:43])[H:44])[H:42])([O:4][H:26])[H:41])([H:39])[H:40])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27].[H]O[C:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38]](../images/EVODEX.1-P4356.svg)
[C:1](=[C:2]([C@:3]([O:4][H:26])([C:5]([C:6](=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27])[S:13][C@:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44]>>[H][S:13][C:6]([C:5]([C@:3]([C:2](=[C:1]([H:43])[H:44])[H:42])([O:4][H:26])[H:41])([H:39])[H:40])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27].[H]O[C:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38]