SMIRKS
[C:1]([C:2](=[O:3])[C@@:4]1([H:26])[C:5]([H:27])([H:28])[C:6]([H:29])([H:30])[C@@:7]2([H:31])[C@:8]3([H:32])[C:9]([H:33])([H:34])[C:10]([H:35])=[C:11]4[C:12]([H:36])([H:37])[C:13](=[O:14])[C:15]([H:38])([H:39])[C:16]([H:40])([H:41])[C@:17]4([C:18]([H:42])([H:43])[H:44])[C:19]3=[C:20]([H:45])[C:21]([H:46])([H:47])[C@:22]12[C:23]([H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][O:24][O:25][H]>>[H][C@@:19]12[C@:8]([H:32])([C@:7]3([H:31])[C:6]([H:29])([H:30])[C:5]([H:27])([H:28])[C@@:4]([C:2]([C:1]([H:51])([H:52])[H:53])=[O:3])([H:26])[C@@:22]3([C:23]([H:48])([H:49])[H:50])[C:21]([H:46])([H:47])[C:20]1([H])[H:45])[C:9]([H:33])([H:34])[C:10]([H:35])=[C:11]1[C:12]([H:36])([H:37])[C:13](=[O:14])[C:15]([H:38])([H:39])[C:16]([H:40])([H:41])[C@@:17]12[C:18]([H:42])([H:43])[H:44].[O:24]=[O:25]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 32588 | 5-pregnen-3,20-dione + O2 = pregnenolone + H2O2 {r} | False | Nocardia erythropolis | nan | 1.1.3.6 |
Derived Partial Reactions
EVODEX.1-P136
[C@@:4]1([H:26])[C:5]([H:27])([H:28])[C:6]([H:29])([H:30])[C@@:7]2([H:31])[C@:8]3([H:32])[C:9]([H:33])([H:34])[C:10]([H:35])=[C:11]4[C:12]([H:36])([H:37])[C:13](=[O:14])[C:15]([H:38])([H:39])[C:16]([H:40])([H:41])[C@:17]4([C:18]([H:42])([H:43])[H:44])[C:19]3=[C:20]([H:45])[C:21]([H:46])([H:47])[C@:22]12[C:23]([H:48])([H:49])[H:50])([H:51])([H:52])[H:53]>>[H][C@@:19]12[C@:8]([H:32])([C@:7]3([H:31])[C:6]([H:29])([H:30])[C:5]([H:27])([H:28])[C@@:4]([C:2]([C:1]([H:51])([H:52])[H:53])=[O:3])([H:26])[C@@:22]3([C:23]([H:48])([H:49])[H:50])[C:21]([H:46])([H:47])[C:20]1([H])[H:45])[C:9]([H:33])([H:34])[C:10]([H:35])=[C:11]1[C:12]([H:36])([H:37])[C:13](=[O:14])[C:15]([H:38])([H:39])[C:16]([H:40])([H:41])[C@@:17]12[C:18]([H:42])([H:43])[H:44]](../images/EVODEX.1-P136.svg)
[C:1]([C:2](=[O:3])[C@@:4]1([H:26])[C:5]([H:27])([H:28])[C:6]([H:29])([H:30])[C@@:7]2([H:31])[C@:8]3([H:32])[C:9]([H:33])([H:34])[C:10]([H:35])=[C:11]4[C:12]([H:36])([H:37])[C:13](=[O:14])[C:15]([H:38])([H:39])[C:16]([H:40])([H:41])[C@:17]4([C:18]([H:42])([H:43])[H:44])[C:19]3=[C:20]([H:45])[C:21]([H:46])([H:47])[C@:22]12[C:23]([H:48])([H:49])[H:50])([H:51])([H:52])[H:53]>>[H][C@@:19]12[C@:8]([H:32])([C@:7]3([H:31])[C:6]([H:29])([H:30])[C:5]([H:27])([H:28])[C@@:4]([C:2]([C:1]([H:51])([H:52])[H:53])=[O:3])([H:26])[C@@:22]3([C:23]([H:48])([H:49])[H:50])[C:21]([H:46])([H:47])[C:20]1([H])[H:45])[C:9]([H:33])([H:34])[C:10]([H:35])=[C:11]1[C:12]([H:36])([H:37])[C:13](=[O:14])[C:15]([H:38])([H:39])[C:16]([H:40])([H:41])[C@@:17]12[C:18]([H:42])([H:43])[H:44]