Hexadecanoic acid; Nitrile
AlkaPlorer ID: AK113965
Synonym: Hexadecanonitrile, Palmitonitrile, 1-Cyanopentadecane
IUPAC Name: hexadecanenitrile
Structure
SMILES: CCCCCCCCCCCCCCCC#N
InChI: InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3
InChIKey: WGXGAUQEMYSVJM-UHFFFAOYSA-N
Reference
PubChem CID: 69424
CAS: 629-79-8
LOTUS: LTS0042833
COCONUT: CNP0079880
{NPAtlas: NPA024365
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas veronii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| None | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 237.43099999999995
TPSA？: 23.79
MolLogP？: 5.991280000000006
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Endothelial lipase | Inhibition | 4.0 | % | 10.1016/j.bmcl.2011.12.043 |
| Homo sapiens | Lipoprotein lipase | Inhibition | 14.0 | % | 10.1016/j.bmcl.2011.12.043 |