Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018348
PROPERTIES
| NPAID | NPA018348 |
|---|---|
| CLUSTER ID | 3462 |
| NODE ID | 141 |
| NAME | Bk-1229 |
| FORMULA | C52H83N11O23 |
| MOLECULAR WEIGHT (Da) | 1230.2900 |
| ACCURATE MASS (Da) | 1229.5663 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | ambifaria |
| InChIKey | WATGQJRVYCRUDS-TWEVVRIGSA-N |
| InChI | InChI=1S/C52H83N11O23/c1-2-3-4-5-6-7-8-9-10-11-33(86-52-44(77)42(75)32(68)23-85-52)41(74)31(67)16-25-17-36(71)59-29(21-64)48(81)62-38(40(73)24-12-14-26(66)15-13-24)51(84)60-27(18-34(53)69)46(79)56-20-37(72)58-28(19-35(54)70)47(80)61-30(22-65)49(82)63-39(50(83)57-25)43(76)45(55)78/h12-15,25,27-33,38-44,52,64-68,73-77H,2-11,16-23H2,1H3,(H2,53,69)(H2,54,70)(H2,55,78)(H,56,79)(H,57,83)(H,58,72)(H,59,71)(H,60,84)(H,61,80)(H,62,81)(H,63,82)/t25?,27-,28+,29-,30+,31?,32+,33?,38?,39+,40?,41?,42-,43+,44+,52-/m1/s1 |
| SMILES | CCCCCCCCCCCC(C(C(CC1CC(=O)N[C@@H](C(=O)NC(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)[C@@H](C(=O)N)O)CO)CC(=O)N)CC(=O)N)C(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 | Tawfik, Kamilia A; Jeffs, Peter; Bray, Brian; Dubay, George; Falkinham, Joseph O; Mesbah, Mostafa; Youssef, Diaa; Khalifa, Sherief; Schmidt, Eric W Burkholdines 1097 and 1229, potent antifungal peptides from Burkholderia ambifaria 2.2N Organic Letters 2010 12 (4) 664-666. | ||
|---|---|---|---|
| DOI | 10.1021/ol9029269 | PMID | 20085289 |
