Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014598
PROPERTIES
| NPAID | NPA014598 |
|---|---|
| CLUSTER ID | 4307 |
| NODE ID | 3174 |
| NAME | Xenorhabdin 3 |
| FORMULA | C13H18N2O2S2 |
| MOLECULAR WEIGHT (Da) | 298.4330 |
| ACCURATE MASS (Da) | 298.0810 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | sp. |
| InChIKey | KMGWVOLORMQZAF-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H18N2O2S2/c1-2-3-4-5-6-7-10(16)15-11-12-9(8-18-19-12)14-13(11)17/h8H,2-7H2,1H3,(H,14,17)(H,15,16) |
| SMILES | CCCCCCCC(=O)NC1=C2C(=CSS2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | McInerney, Bernie V; Gregson, Richard P; Lacey, Michael J; Akhurst, Raymond J; Lyons, Graham R; Rhodes, Stuart H; Smith, Donald RJ; Engelhardt, Lutz M; White, Allan H Biologically active metabolites from Xenorhabdus spp., Part 1. Dithiolopyrrolone derivatives with antibiotic activity Journal of Natural Products 1991 54 (3) 774-784. | ||
|---|---|---|---|
| DOI | 10.1021/np50075a005 | PMID | - |
