Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028355
PROPERTIES
| NPAID | NPA028355 |
|---|---|
| CLUSTER ID | 4416 |
| NODE ID | 3244 |
| NAME | Totopensamide C |
| FORMULA | C52H84ClN7O22S |
| MOLECULAR WEIGHT (Da) | 1226.7910 |
| ACCURATE MASS (Da) | 1225.5079 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | pactum SCSIO 02999 |
| InChIKey | SLDMXMFVHHHMOO-WMEDMEPBSA-N |
| InChI | InChI=1S/C52H84ClN7O22S/c1-13-21(3)37-48(72)54-18-35(66)55-26(8)38(49(73)60-40(51(75)58-37)30-16-32(82-83(76,77)78)24(6)42(68)36(30)53)59-47(71)27(9)56-50(74)39(28(10)62)57-34(65)17-31(64)22(4)14-20(2)15-23(5)41(67)25(7)45(29(11)63)81-52-44(70)43(69)46(79-12)33(19-61)80-52/h16,20-23,25-29,33,37-41,43-46,52,61-63,67-70H,13-15,17-19H2,1-12H3,(H,54,72)(H,55,66)(H,56,74)(H,57,65)(H,58,75)(H,59,71)(H,60,73)(H,76,77,78)/t20?,21-,22?,23?,25?,26+,27-,28+,29?,33+,37-,38+,39+,40+,41?,43+,44+,45?,46+,52?/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](C2=CC(OS(=O)(=O)O)=C(C)C(O)=C2Cl)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(OC2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)C(C)O)[C@@H](C)O)[C@@H](C)NC(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen R; Zhang Q; Tan B; Zheng L; Li H; Zhu Y; Zhang C Genome Mining and Activation of a Silent PKS/NRPS Gene Cluster Direct the Production of Totopotensamides. Organic Letters 2017 19 (20) 5697-5700. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b02878 | PMID | 29019409 |
