Xenorhabdin 3
AlkaPlorer ID: AK058868
Synonym: None
IUPAC Name: N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)octanamide
Structure
SMILES: CCCCCCCC(O)=NC1=C2SSC=C2N=C1O
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)
InChIKey: KMGWVOLORMQZAF-UHFFFAOYSA-N
Reference
PubChem CID: 185190
CAS: 92680-91-6
LOTUS: LTS0183997
COCONUT: CNP0325052
{NPAtlas: NPA014598
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 298.43300000000005
TPSA？: 65.71000000000001
MolLogP？: 4.963500000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|