Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010977
PROPERTIES
| NPAID | NPA010977 |
|---|---|
| CLUSTER ID | 3462 |
| NODE ID | 141 |
| NAME | Burkholidine 1119 |
| FORMULA | C52H85N11O21 |
| MOLECULAR WEIGHT (Da) | 1200.3080 |
| ACCURATE MASS (Da) | 1199.5921 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | ambifaria |
| InChIKey | PCAQFZPDERWHAA-AMNWSHGDSA-N |
| InChI | InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-10-11-36(84-52-45(76)44(75)35(68)25-83-52)43(74)34(67)18-27-19-39(71)59-32(23-64)50(81)63-41(42(73)26-12-14-28(66)15-13-26)51(82)60-29(16-17-53)46(77)56-22-40(72)58-30(20-37(54)69)48(79)62-33(24-65)49(80)61-31(21-38(55)70)47(78)57-27/h12-15,27,29-36,41-45,52,64-68,73-76H,2-11,16-25,53H2,1H3,(H2,54,69)(H2,55,70)(H,56,77)(H,57,78)(H,58,72)(H,59,71)(H,60,82)(H,61,80)(H,62,79)(H,63,81)/t27-,29-,30+,31+,32-,33+,34-,35-,36+,41-,42-,43-,44+,45-,52-/m1/s1 |
| SMILES | CCCCCCCCCCC[C@@H]([C@@H]([C@@H](C[C@@H]1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CO)CC(=O)N)CCN)[C@@H](C2=CC=C(C=C2)O)O)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin, Zhenjian; Falkinham, Joseph O.; Tawfik, Kamilia A.; Jeffs, Peter; Bray, Brian; Dubay, George; Cox, James E.; Schmidt, Eric W. Burkholdines from Burkholderia ambifaria: Antifungal Agents and Possible Virulence Factors Journal of Natural Products 2012 75 (9) 1518-1523. | ||
|---|---|---|---|
| DOI | 10.1021/np300108u | PMID | 22988812 |
