Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019081
PROPERTIES
| NPAID | NPA019081 |
|---|---|
| CLUSTER ID | 2113 |
| NODE ID | 1694 |
| NAME | Kurstakin 3 |
| FORMULA | C40H65N11O12 |
| MOLECULAR WEIGHT (Da) | 892.0250 |
| ACCURATE MASS (Da) | 891.4814 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | thuringiensis kurstaki HD-1 |
| InChIKey | MQQKKYOHHVYHGJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C40H65N11O12/c1-22(2)11-9-7-5-6-8-10-12-32(55)51-34(24(4)52)39(61)45-20-33(56)46-23(3)35(57)50-28-21-63-40(62)26(14-16-30(42)54)48-36(58)25(13-15-29(41)53)47-37(59)27(49-38(28)60)19-31-43-17-18-44-31/h17-18,22-28,34,52H,5-16,19-21H2,1-4H3,(H2,41,53)(H2,42,54)(H,43,44)(H,45,61)(H,46,56)(H,47,59)(H,48,58)(H,49,60)(H,50,57)(H,51,55) |
| SMILES | CC(C)CCCCCCCCC(=O)NC(C(C)O)C(=O)NCC(=O)NC(C)C(=O)NC1COC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=NC=CN2)CCC(=O)N)CCC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hathout, Yetrib; Ho, Yen-Peng; Ryzhov, Victor; Demirev, Plamen; Fenselau, Catherine Kurstakins: A new class of lipopeptides isolated from Bacillus thuringiensis Journal of Natural Products 2000 63 (11) 1492-1496. | ||
|---|---|---|---|
| DOI | 10.1021/np000169q | PMID | 11087590 |
