SMIRKS
[H][O:40][C:39]([C@@:37]1([O:38][H:63])[C@:23]([N:22]([C:21]2:[C:20]([H:44]):[C:19]([H:43]):[C:18]([H:42]):[C:17]([C:15]([C:14]([H:69])([H:70])[H:71])=[O:16]):[C:41]:2[H:68])[H:67])([H:45])[C@@:24]([N:25]([H:46])[H:47])([H:48])[C@:26]([C:27]([H:49])([H:50])[H:51])([N:28]([C:29](=[O:30])[N:31]([C:32]([H:52])([H:53])[H:54])[C:33]([H:55])([H:56])[H:57])[H:58])[C@@:34]1([C:35]([H:59])([H:60])[H:61])[O:36][H:62])([H:65])[H:66].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]([C:11]([C:12]([Cl:13])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])([H:84])[H:85]>>[C:8](=[O:9])([C:10]([C:11]([C:12]([Cl:13])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[O:40][C:39]([C@@:37]1([O:38][H:63])[C@:23]([N:22]([C:21]2:[C:20]([H:44]):[C:19]([H:43]):[C:18]([H:42]):[C:17]([C:15]([C:14]([H:69])([H:70])[H:71])=[O:16]):[C:41]:2[H:68])[H:67])([H:45])[C@@:24]([N:25]([H:46])[H:47])([H:48])[C@:26]([C:27]([H:49])([H:50])[H:51])([N:28]([C:29](=[O:30])[N:31]([C:32]([H:52])([H:53])[H:54])[C:33]([H:55])([H:56])[H:57])[H:58])[C@@:34]1([C:35]([H:59])([H:60])[H:61])[O:36][H:62])([H:65])[H:66].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:83])([H:84])[H:85])=[O:3])[H:82])([H:80])[H:81])([H:78])[H:79]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 112729 | de-(6-methylsalicylyl)-7-deoxy-7-demethylpactamycin + S-(2-acetamidoethyl) 4-chlorobutanethioate = [(1S,2R,3S,4S 5S)-5-(3-acetylanilino)-4-amino-3-[(dimethylcarbamoyl)amino]-1 2-dihydroxy-2,3-dimethylcyclopentyl]methyl 4-chlorobutanoate + N-(2-sulfanylethyl)acetamide | False | Streptomyces pactum | nan | 2.3.1.180 |
Derived Partial Reactions
EVODEX.1-P1609
[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]([C:11]([C:12]([Cl:13])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])([H:84])[H:85]>>[H]O[C@]1(C([H])([H])O[C:8](=[O:9])[C:10]([C:11]([C:12]([Cl:13])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[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:83])([H:84])[H:85])=[O:3])[H:82])([H:80])[H:81])([H:78])[H:79]](../images/EVODEX.1-P1609.svg)
[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]([C:11]([C:12]([Cl:13])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])([H:84])[H:85]>>[H]O[C@]1(C([H])([H])O[C:8](=[O:9])[C:10]([C:11]([C:12]([Cl:13])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[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:83])([H:84])[H:85])=[O:3])[H:82])([H:80])[H:81])([H:78])[H:79]