SMIRKS
[H][C:24]([C@:22]([C:21](=[C:20]([C@:18]([C@:17]1([H:66])[C@@:15]2([C:16]([H:46])([H:47])[H:48])[C:14]([H:44])([H:45])[C:13]([H:42])([H:43])[C:12]([H:40])([H:41])[C:11](=[C:10]([C:9](=[C:8]3[C:2](=[C:1]([H:74])[H:75])[C:3]([H:32])([H:33])[C:4]([H:34])([H:35])[C@@:5]([O:6][H:36])([H:37])[C:7]3([H:38])[H:39])[H:73])[H:72])[C@:29]2([H:71])[C:28]([H:69])([H:70])[C:27]1([H:67])[H:68])([C:19]([H:49])([H:50])[H:51])[H:65])[H:64])[H:63])([C:23]([H:52])([H:53])[H:54])[H:62])([C:25]([H:55])([H:56])[H:57])[C:26]([H:58])([H:59])[H:60].[O:30]([O:31][H:76])[H:77]>>[C:1](=[C:2]1[C:3]([H:32])([H:33])[C:4]([H:34])([H:35])[C@@:5]([O:6][H:36])([H:37])[C:7]([H:38])([H:39])[C:8]1=[C:9]([C:10](=[C:11]1[C:12]([H:40])([H:41])[C:13]([H:42])([H:43])[C:14]([H:44])([H:45])[C@:15]2([C:16]([H:46])([H:47])[H:48])[C@:17]([C@:18]([C:19]([H:49])([H:50])[H:51])([C:20](=[C:21]([C@:22]([C:23]([H:52])([H:53])[H:54])([C:24]([C:25]([H:55])([H:56])[H:57])([C:26]([H:58])([H:59])[H:60])[O:30][H:77])[H:62])[H:63])[H:64])[H:65])([H:66])[C:27]([H:67])([H:68])[C:28]([H:69])([H:70])[C@@:29]12[H:71])[H:72])[H:73])([H:74])[H:75].[H][O:31][H:76]
Source Database Data
Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
---|---|---|---|---|---|---|
37950 | ergocalciferol + H2O2 = 25-hydroxyergocalciferol + H2O | False | Coprinopsis cinerea | nan | 1.11.2.1 |
Derived Partial Reactions
EVODEX.1-P194
[H][C:24]([C@:22]([C:21](=[C:20]([C@:18]([C@:17]1([H:66])[C@@:15]2([C:16]([H:46])([H:47])[H:48])[C:14]([H:44])([H:45])[C:13]([H:42])([H:43])[C:12]([H:40])([H:41])[C:11](=[C:10]([C:9](=[C:8]3[C:2](=[C:1]([H:74])[H:75])[C:3]([H:32])([H:33])[C:4]([H:34])([H:35])[C@@:5]([O:6][H:36])([H:37])[C:7]3([H:38])[H:39])[H:73])[H:72])[C@:29]2([H:71])[C:28]([H:69])([H:70])[C:27]1([H:67])[H:68])([C:19]([H:49])([H:50])[H:51])[H:65])[H:64])[H:63])([C:23]([H:52])([H:53])[H:54])[H:62])([C:25]([H:55])([H:56])[H:57])[C:26]([H:58])([H:59])[H:60].[H]O[O:30][H:77]>>[C:1](=[C:2]1[C:3]([H:32])([H:33])[C:4]([H:34])([H:35])[C@@:5]([O:6][H:36])([H:37])[C:7]([H:38])([H:39])[C:8]1=[C:9]([C:10](=[C:11]1[C:12]([H:40])([H:41])[C:13]([H:42])([H:43])[C:14]([H:44])([H:45])[C@:15]2([C:16]([H:46])([H:47])[H:48])[C@:17]([C@:18]([C:19]([H:49])([H:50])[H:51])([C:20](=[C:21]([C@:22]([C:23]([H:52])([H:53])[H:54])([C:24]([C:25]([H:55])([H:56])[H:57])([C:26]([H:58])([H:59])[H:60])[O:30][H:77])[H:62])[H:63])[H:64])[H:65])([H:66])[C:27]([H:67])([H:68])[C:28]([H:69])([H:70])[C@@:29]12[H:71])[H:72])[H:73])([H:74])[H:75]