Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017294
PROPERTIES
| NPAID | NPA017294 |
|---|---|
| CLUSTER ID | 2106 |
| NODE ID | 1684 |
| NAME | Not named |
| 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 | OWDOAIJHHSFXIW-VCJCTMQHSA-N |
| InChI | InChI=1S/C40H65N11O12/c1-4-5-6-7-8-9-10-11-12-13-32(55)51-34(24(3)52)39(61)44-20-33(56)46-23(2)35(57)50-29-21-63-40(62)27(15-17-31(42)54)48-36(58)26(14-16-30(41)53)47-37(59)28(49-38(29)60)18-25-19-43-22-45-25/h19,22-24,26-29,34,52H,4-18,20-21H2,1-3H3,(H2,41,53)(H2,42,54)(H,43,45)(H,44,61)(H,46,56)(H,47,59)(H,48,58)(H,49,60)(H,50,57)(H,51,55)/t23-,24+,26-,27-,28-,29-,34-/m0/s1 |
| SMILES | CCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)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 |
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 |
