SMIRKS
[H][O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88]>>[C:8](=[O:9])([C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])[O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:86])([H:87])[H:88])=[O:3])[H:85])([H:83])[H:84])([H:81])[H:82]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 112727 | de-(6-methylsalicylyl)-7-deoxy-7-demethylpactamycin + S-(2-acetamidoethyl) 3-aminobenzene-1-carbothioate = [(1S,2R,3S,4S 5S)-5-(3-acetylanilino)-4-amino-3-[(dimethylcarbamoyl)amino]-1 2-dihydroxy-2,3-dimethylcyclopentyl]methyl 3-aminobenzoate + N-(2-sulfanylethyl)acetamide | False | Streptomyces pactum | nan | 2.3.1.180 |
Derived Partial Reactions
EVODEX.1-P1605
![[H][O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88]>>[C:8](=[O:9])([C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])[O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:86])([H:87])[H:88])=[O:3])[H:85])([H:83])[H:84])([H:81])[H:82]](../images/EVODEX.1-P1605.svg)
[H][O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88]>>[C:8](=[O:9])([C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80])[O:43][C:42]([C@@:40]1([O:41][H:66])[C@:26]([N:25]([C:24]2:[C:23]([H:47]):[C:22]([H:46]):[C:21]([H:45]):[C:20]([C:18]([C:17]([H:72])([H:73])[H:74])=[O:19]):[C:44]:2[H:71])[H:70])([H:48])[C@@:27]([N:28]([H:49])[H:50])([H:51])[C@:29]([C:30]([H:52])([H:53])[H:54])([N:31]([C:32](=[O:33])[N:34]([C:35]([H:55])([H:56])[H:57])[C:36]([H:58])([H:59])[H:60])[H:61])[C@@:37]1([C:38]([H:62])([H:63])[H:64])[O:39][H:65])([H:68])[H:69].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:86])([H:87])[H:88])=[O:3])[H:85])([H:83])[H:84])([H:81])[H:82]
EVODEX.1-P1606
![[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])S[C:8](=[O:9])[C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80]>>[H]O[C@]1(C([H])([H])O[C:8](=[O:9])[C:10]2:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:2[H:80])[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-P1606.svg)
[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])S[C:8](=[O:9])[C:10]1:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:1[H:80]>>[H]O[C@]1(C([H])([H])O[C:8](=[O:9])[C:10]2:[C:11]([H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]([N:15]([H:78])[H:79]):[C:16]:2[H:80])[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]