Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014328
PROPERTIES
| NPAID | NPA014328 |
|---|---|
| CLUSTER ID | 2106 |
| NODE ID | 1684 |
| NAME | Not named |
| FORMULA | C39H63N11O12 |
| MOLECULAR WEIGHT (Da) | 877.9980 |
| ACCURATE MASS (Da) | 877.4658 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | thuringiensis kurstaki HD-1 |
| InChIKey | UYANQJWOWNJUER-KGBHGKHYSA-N |
| InChI | InChI=1S/C39H63N11O12/c1-21(2)10-8-6-5-7-9-11-31(54)50-33(23(4)51)38(60)43-18-32(55)45-22(3)34(56)49-28-19-62-39(61)26(13-15-30(41)53)47-35(57)25(12-14-29(40)52)46-36(58)27(48-37(28)59)16-24-17-42-20-44-24/h17,20-23,25-28,33,51H,5-16,18-19H2,1-4H3,(H2,40,52)(H2,41,53)(H,42,44)(H,43,60)(H,45,55)(H,46,58)(H,47,57)(H,48,59)(H,49,56)(H,50,54)/t22-,23+,25-,26-,27-,28-,33-/m0/s1 |
| SMILES | C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CCC(=O)N)CCC(=O)N)NC(=O)CCCCCCCC(C)C)O |
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 |
