SMIRKS
[H][O:37][C:36]([C@@:34]1([O:35][H:60])[C@:20]([N:19]([C:18]2:[C:17]([H:41]):[C:16]([H:40]):[C:15]([H:39]):[C:14]([C:12]([C:11]([H:66])([H:67])[H:68])=[O:13]):[C:38]:2[H:65])[H:64])([H:42])[C@@:21]([N:22]([H:43])[H:44])([H:45])[C@:23]([C:24]([H:46])([H:47])[H:48])([N:25]([C:26](=[O:27])[N:28]([C:29]([H:49])([H:50])[H:51])[C:30]([H:52])([H:53])[H:54])[H:55])[C@@:31]1([C:32]([H:56])([H:57])[H:58])[O:33][H:59])([H:62])[H:63].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8]([C:9]([H:69])([H:70])[H:71])=[O:10])([H:72])[H:73])([H:74])[H:75])[H:76])([H:77])([H:78])[H:79]>>[C:8]([C:9]([H:69])([H:70])[H:71])(=[O:10])[O:37][C:36]([C@@:34]1([O:35][H:60])[C@:20]([N:19]([C:18]2:[C:17]([H:41]):[C:16]([H:40]):[C:15]([H:39]):[C:14]([C:12]([C:11]([H:66])([H:67])[H:68])=[O:13]):[C:38]:2[H:65])[H:64])([H:42])[C@@:21]([N:22]([H:43])[H:44])([H:45])[C@:23]([C:24]([H:46])([H:47])[H:48])([N:25]([C:26](=[O:27])[N:28]([C:29]([H:49])([H:50])[H:51])[C:30]([H:52])([H:53])[H:54])[H:55])[C@@:31]1([C:32]([H:56])([H:57])[H:58])[O:33][H:59])([H:62])[H:63].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:77])([H:78])[H:79])=[O:3])[H:76])([H:74])[H:75])([H:72])[H:73]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 112734 | de-(6-methylsalicylyl)-7-deoxy-7-demethylpactamycin + S-(2-acetamidoethyl) ethanethioate = [(1S,2R,3S,4S 5S)-5-(3-acetylanilino)-4-amino-3-[(dimethylcarbamoyl)amino]-1 2-dihydroxy-2,3-dimethylcyclopentyl]methyl acetate + N-(2-sulfanylethyl)acetamide | False | Streptomyces pactum | nan | 2.3.1.180 |
Derived Partial Reactions
EVODEX.1-P1615
[N:4]([C:5]([C:6]([S:7][C:8]([C:9]([H:69])([H:70])[H:71])=[O:10])([H:72])[H:73])([H:74])[H:75])[H:76])([H:77])([H:78])[H:79]>>[H]O[C@]1(C([H])([H])O[C:8]([C:9]([H:69])([H:70])[H:71])=[O:10])[C@@]([H])(N([H])C2:C([H]):C([H]):C([H]):C(C(=O)C([H])([H])[H]):C:2[H])[C@]([H])(N([H])[H])[C@@](N([H])C(=O)N(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])[C@]1(O[H])C([H])([H])[H].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:77])([H:78])[H:79])=[O:3])[H:76])([H:74])[H:75])([H:72])[H:73]](../images/EVODEX.1-P1615.svg)
[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8]([C:9]([H:69])([H:70])[H:71])=[O:10])([H:72])[H:73])([H:74])[H:75])[H:76])([H:77])([H:78])[H:79]>>[H]O[C@]1(C([H])([H])O[C:8]([C:9]([H:69])([H:70])[H:71])=[O:10])[C@@]([H])(N([H])C2:C([H]):C([H]):C([H]):C(C(=O)C([H])([H])[H]):C:2[H])[C@]([H])(N([H])[H])[C@@](N([H])C(=O)N(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])[C@]1(O[H])C([H])([H])[H].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:77])([H:78])[H:79])=[O:3])[H:76])([H:74])[H:75])([H:72])[H:73]