SMIRKS
[H][O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55].[C:1]([C:2]([C:3]([C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78].[H][S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 114984 | butanoyl-N-acetylcysteamine + monacolin J = (1S,3R,7S,8S,8aR)-8-[2-[(2R 4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7 8,8a-hexahydronaphthalen-1-yl butanoate + N-acetylcysteamine | False | Aspergillus terreus | Q9Y7D1 | swissprot | 2.3.1.238 |
Derived Partial Reactions
EVODEX.1-P1700
![[H][O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55].[C:1]([C:2]([C:3]([C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78].[H][S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71]](../images/EVODEX.1-P1700.svg)
[H][O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55].[C:1]([C:2]([C:3]([C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:34][C@:33]1([H:58])[C@@:32]2([H:56])[C:16](=[C:15]([H:37])[C@@:14]([C:13]([H:61])([H:62])[H:63])([H:36])[C:35]1([H:59])[H:60])[C:17]([H:38])=[C:18]([H:39])[C@@:19]([C:20]([H:40])([H:41])[H:42])([H:43])[C@@:21]2([C:22]([C:23]([C@:24]1([H:44])[C:25]([H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C:28]([H:49])([H:50])[C:29](=[O:30])[O:31]1)([H:51])[H:52])([H:53])[H:54])[H:55])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78].[H][S:6][C:7]([C:8]([N:9]([C:10]([C:11]([H:64])([H:65])[H:66])=[O:12])[H:67])([H:68])[H:69])([H:70])[H:71]