SMIRKS
[C:1]([C:2](=[O:3])[C@@:4]1([H:29])[C:5]([H:30])([H:31])[C:6]([H:32])([H:33])[C@@:7]2([H:34])[C@:8]3([H:35])[C:9]([H:36])([H:37])[C:10]([H:38])=[C:11]4[C:12]([H:39])([H:40])[C@:13]([O:14][S:15](=[O:16])(=[O:17])[O:18][H:41])([H:42])[C:19]([H:43])([H:44])[C:20]([H:45])([H:46])[C@:21]4([C:22]([H:47])([H:48])[H:49])[C@@:23]3([H:50])[C:24]([H:51])([H:52])[C:25]([H:53])([H:54])[C@:26]12[C:27]([H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][O:28][H:61]>>[C:1]([C:2](=[O:3])[C@@:4]1([H:29])[C:5]([H:30])([H:31])[C:6]([H:32])([H:33])[C@@:7]2([H:34])[C@:8]3([H:35])[C:9]([H:36])([H:37])[C:10]([H:38])=[C:11]4[C:12]([H:39])([H:40])[C@:13]([O:28][H:61])([H:42])[C:19]([H:43])([H:44])[C:20]([H:45])([H:46])[C@:21]4([C:22]([H:47])([H:48])[H:49])[C@@:23]3([H:50])[C:24]([H:51])([H:52])[C:25]([H:53])([H:54])[C@:26]12[C:27]([H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][O:14][S:15](=[O:16])(=[O:17])[O:18][H:41]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 216390 | pregnenolone sulfate + H2O = pregnenolone + sulfate | False | Homo sapiens | nan | 3.1.6.2 |
Derived Partial Reactions
EVODEX.1-P4280
![[H]OS(=O)(=O)O[C@:13]1([H:42])[C:12]([H:39])([H:40])[C:11]2=[C:10]([H:38])[C:9]([H:36])([H:37])[C@@:8]3([H:35])[C@:7]4([H:34])[C:6]([H:32])([H:33])[C:5]([H:30])([H:31])[C@@:4]([C:2]([C:1]([H:58])([H:59])[H:60])=[O:3])([H:29])[C@@:26]4([C:27]([H:55])([H:56])[H:57])[C:25]([H:53])([H:54])[C:24]([H:51])([H:52])[C@:23]3([H:50])[C@@:21]2([C:22]([H:47])([H:48])[H:49])[C:20]([H:45])([H:46])[C:19]1([H:43])[H:44].[H][O:28][H:61]>>[C:1]([C:2](=[O:3])[C@@:4]1([H:29])[C:5]([H:30])([H:31])[C:6]([H:32])([H:33])[C@@:7]2([H:34])[C@:8]3([H:35])[C:9]([H:36])([H:37])[C:10]([H:38])=[C:11]4[C:12]([H:39])([H:40])[C@:13]([O:28][H:61])([H:42])[C:19]([H:43])([H:44])[C:20]([H:45])([H:46])[C@:21]4([C:22]([H:47])([H:48])[H:49])[C@@:23]3([H:50])[C:24]([H:51])([H:52])[C:25]([H:53])([H:54])[C@:26]12[C:27]([H:55])([H:56])[H:57])([H:58])([H:59])[H:60]](../images/EVODEX.1-P4280.svg)
[H]OS(=O)(=O)O[C@:13]1([H:42])[C:12]([H:39])([H:40])[C:11]2=[C:10]([H:38])[C:9]([H:36])([H:37])[C@@:8]3([H:35])[C@:7]4([H:34])[C:6]([H:32])([H:33])[C:5]([H:30])([H:31])[C@@:4]([C:2]([C:1]([H:58])([H:59])[H:60])=[O:3])([H:29])[C@@:26]4([C:27]([H:55])([H:56])[H:57])[C:25]([H:53])([H:54])[C:24]([H:51])([H:52])[C@:23]3([H:50])[C@@:21]2([C:22]([H:47])([H:48])[H:49])[C:20]([H:45])([H:46])[C:19]1([H:43])[H:44].[H][O:28][H:61]>>[C:1]([C:2](=[O:3])[C@@:4]1([H:29])[C:5]([H:30])([H:31])[C:6]([H:32])([H:33])[C@@:7]2([H:34])[C@:8]3([H:35])[C:9]([H:36])([H:37])[C:10]([H:38])=[C:11]4[C:12]([H:39])([H:40])[C@:13]([O:28][H:61])([H:42])[C:19]([H:43])([H:44])[C:20]([H:45])([H:46])[C@:21]4([C:22]([H:47])([H:48])[H:49])[C@@:23]3([H:50])[C:24]([H:51])([H:52])[C:25]([H:53])([H:54])[C@:26]12[C:27]([H:55])([H:56])[H:57])([H:58])([H:59])[H:60]