Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020281
PROPERTIES
| NPAID | NPA020281 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Paenilarvin A |
| FORMULA | C52H81N13O14 |
| MOLECULAR WEIGHT (Da) | 1112.2970 |
| ACCURATE MASS (Da) | 1111.6026 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paenibacillus |
| ORIGIN SPECIES | larvae |
| InChIKey | XKKADACNPRYILN-GMDHZIEOSA-N |
| InChI | InChI=1S/C52H81N13O14/c1-3-29(2)13-10-8-6-4-5-7-9-11-14-31-24-45(72)59-35(25-41(54)68)48(75)61-34(23-30-16-18-32(66)19-17-30)47(74)63-37(27-43(56)70)49(76)60-33(20-21-40(53)67)52(79)65-22-12-15-39(65)51(78)64-38(28-44(57)71)50(77)62-36(26-42(55)69)46(73)58-31/h16-19,29,31,33-39,66H,3-15,20-28H2,1-2H3,(H2,53,67)(H2,54,68)(H2,55,69)(H2,56,70)(H2,57,71)(H,58,73)(H,59,72)(H,60,76)(H,61,75)(H,62,77)(H,63,74)(H,64,78)/t29?,31-,33-,34+,35-,36-,37+,38+,39+/m0/s1 |
| SMILES | CCC(C)CCCCCCCCCC[C@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sood S; Steinmetz H; Beims H; Mohr KI; Stadler M; Djukic M; von der Ohe W; Steinert M; Daniel R; Müller R Paenilarvins: Iturin family lipopeptides from the honey bee pathogen Paenibacillus larvae. ChemBioChem 2014 15 (13) 1947-1955. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201402139 | PMID | 25069424 |
