Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020283
PROPERTIES
| NPAID | NPA020283 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Paenilarvin C |
| FORMULA | C50H77N13O14 |
| MOLECULAR WEIGHT (Da) | 1084.2430 |
| ACCURATE MASS (Da) | 1083.5713 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paenibacillus |
| ORIGIN SPECIES | larvae |
| InChIKey | BAZZDDBHNIGLGB-AWNDOMLDSA-N |
| InChI | InChI=1S/C50H77N13O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-43(70)57-33(23-39(52)66)46(73)59-32(21-28-14-16-30(64)17-15-28)45(72)61-35(25-41(54)68)47(74)58-31(18-19-38(51)65)50(77)63-20-10-13-37(63)49(76)62-36(26-42(55)69)48(75)60-34(24-40(53)67)44(71)56-29/h14-17,27,29,31-37,64H,3-13,18-26H2,1-2H3,(H2,51,65)(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,71)(H,57,70)(H,58,74)(H,59,73)(H,60,75)(H,61,72)(H,62,76)/t29-,31-,32+,33-,34-,35+,36+,37+/m0/s1 |
| SMILES | CC(C)CCCCCCCCC[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 |
