SMIRKS
[H][O:27][C:26]([C@@:24]1([O:25][H:61])[C@:10]([N:9]([C:8]2:[C:7]([H:42]):[C:6]([H:41]):[C:5]([H:40]):[C:4]([C:2]([C:1]([H:67])([H:68])[H:69])=[O:3]):[C:28]:2[H:66])[H:65])([H:43])[C@@:11]([N:12]([H:44])[H:45])([H:46])[C@:13]([C:14]([H:47])([H:48])[H:49])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:50])([H:51])[H:52])[C:20]([H:53])([H:54])[H:55])[H:56])[C@@:21]1([C:22]([H:57])([H:58])[H:59])[O:23][H:60])([H:63])[H:64].[C:29]([C:30]([C:31](=[O:32])[S:33][C:34]([C:35]([N:36]([C:37]([C:38]([H:70])([H:71])[H:72])=[O:39])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82]>>[C:1]([C:2](=[O:3])[C:4]1:[C:5]([H:40]):[C:6]([H:41]):[C:7]([H:42]):[C:8]([N:9]([C@@:10]2([H:43])[C@@:11]([N:12]([H:44])[H:45])([H:46])[C@:13]([C:14]([H:47])([H:48])[H:49])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:50])([H:51])[H:52])[C:20]([H:53])([H:54])[H:55])[H:56])[C@@:21]([C:22]([H:57])([H:58])[H:59])([O:23][H:60])[C@@:24]2([O:25][H:61])[C:26]([O:27][C:31]([C:30]([C:29]([H:80])([H:81])[H:82])([H:78])[H:79])=[O:32])([H:63])[H:64])[H:65]):[C:28]:1[H:66])([H:67])([H:68])[H:69].[H][S:33][C:34]([C:35]([N:36]([C:37]([C:38]([H:70])([H:71])[H:72])=[O:39])[H:73])([H:74])[H:75])([H:76])[H:77]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 112736 | de-(6-methylsalicylyl)-7-deoxy-7-demethylpactamycin + S-(2-acetamidoethyl) propanethioate = [(1S,2R,3S,4S 5S)-5-(3-acetylanilino)-4-amino-3-[(dimethylcarbamoyl)amino]-1 2-dihydroxy-2,3-dimethylcyclopentyl]methyl propanoate + N-(2-sulfanylethyl)acetamide | False | Streptomyces pactum | nan | 2.3.1.180 |
Derived Partial Reactions
EVODEX.1-P1616
![[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])S[C:31]([C:30]([C:29]([H:80])([H:81])[H:82])([H:78])[H:79])=[O:32]>>[H]O[C@]1(C([H])([H])O[C:31]([C:30]([C:29]([H:80])([H:81])[H:82])([H:78])[H:79])=[O:32])[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]](../images/EVODEX.1-P1616.svg)
[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])S[C:31]([C:30]([C:29]([H:80])([H:81])[H:82])([H:78])[H:79])=[O:32]>>[H]O[C@]1(C([H])([H])O[C:31]([C:30]([C:29]([H:80])([H:81])[H:82])([H:78])[H:79])=[O:32])[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]
EVODEX.1-P1617
[S:33][C:34]([C:35]([N:36]([C:37]([C:38]([H:70])([H:71])[H:72])=[O:39])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82]>>[H]O[C@]1(C([H])([H])O[C:31]([C:30]([C:29]([H:80])([H:81])[H:82])([H:78])[H:79])=[O:32])[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:33][C:34]([C:35]([N:36]([C:37]([C:38]([H:70])([H:71])[H:72])=[O:39])[H:73])([H:74])[H:75])([H:76])[H:77]](../images/EVODEX.1-P1617.svg)
[C:29]([C:30]([C:31](=[O:32])[S:33][C:34]([C:35]([N:36]([C:37]([C:38]([H:70])([H:71])[H:72])=[O:39])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82]>>[H]O[C@]1(C([H])([H])O[C:31]([C:30]([C:29]([H:80])([H:81])[H:82])([H:78])[H:79])=[O:32])[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:33][C:34]([C:35]([N:36]([C:37]([C:38]([H:70])([H:71])[H:72])=[O:39])[H:73])([H:74])[H:75])([H:76])[H:77]