Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012182
PROPERTIES
| NPAID | NPA012182 |
|---|---|
| CLUSTER ID | 2106 |
| NODE ID | 1684 |
| NAME | Not named |
| FORMULA | C41H67N11O12 |
| MOLECULAR WEIGHT (Da) | 906.0520 |
| ACCURATE MASS (Da) | 905.4971 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | thuringiensis kurstaki HD-1 |
| InChIKey | GIRIPBPYVQTCFF-MOIAAXNJSA-N |
| InChI | InChI=1S/C41H67N11O12/c1-23(2)12-10-8-6-5-7-9-11-13-33(56)52-35(25(4)53)40(62)45-20-34(57)47-24(3)36(58)51-30-21-64-41(63)28(15-17-32(43)55)49-37(59)27(14-16-31(42)54)48-38(60)29(50-39(30)61)18-26-19-44-22-46-26/h19,22-25,27-30,35,53H,5-18,20-21H2,1-4H3,(H2,42,54)(H2,43,55)(H,44,46)(H,45,62)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H,51,58)(H,52,56)/t24-,25+,27-,28-,29-,30-,35-/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)CCCCCCCCCC(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 |
