Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019233
PROPERTIES
| NPAID | NPA019233 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Xenematide |
| FORMULA | C37H38N6O6 |
| MOLECULAR WEIGHT (Da) | 662.7470 |
| ACCURATE MASS (Da) | 662.2853 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | nematophilus |
| InChIKey | OHLKJNUNPSYJEE-RWBJUYEISA-N |
| InChI | InChI=1S/C37H38N6O6/c1-22-34(43-32(44)17-23-9-3-2-4-10-23)37(48)42-31(19-25-21-40-29-14-8-6-12-27(25)29)36(47)41-30(35(46)38-16-15-33(45)49-22)18-24-20-39-28-13-7-5-11-26(24)28/h2-14,20-22,30-31,34,39-40H,15-19H2,1H3,(H,38,46)(H,41,47)(H,42,48)(H,43,44)/t22-,30?,31?,34+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)NC(C(=O)NC(C(=O)NCCC(=O)O1)CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)NC(=O)CC6=CC=CC=C6 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lang, Gerhard; Kalvelage, Tim; Peters, Arne; Wiese, Jutta; Imhoff, Johannes F. Linear and cyclic peptides from the entomopathogenic bacterium Xenorhabdus nematophilus Journal of Natural Products 2008 71 (6) 1074-1077. | ||
|---|---|---|---|
| DOI | 10.1021/np800053n | PMID | 18491867 |
