FAIRMD Lipids

Lipid n-Eicosane

Name	n-Eicosane
Molecule	C20
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Show on GitHub	Molecules/membrane/C20 main

Property	Value
iupacName	icosane
molecularFormula	C20H42
molecularWeight	282.6
inChI	InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
inChIKey	CBFCDTFDPHXCNY-UHFFFAOYSA-N
smiles	CCCCCCCCCCCCCCCCCCCC

Database	External ID
cas	112-95-8
ChEBI	CHEBI:43619
ChEMBL	CHEMBL1233983
lipidmaps	LMFA11000571
metabolights	MTBLC43619
pdb.ligand	LFA
pubchem.compound	8222

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/38",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "n-Eicosane",
    "url": "https://databank.nmrlipids.fi/lipid/38",
    "inChI": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",
    "inChIKey": "CBFCDTFDPHXCNY-UHFFFAOYSA-N",
    "iupacName": "icosane",
    "molecularFormula": "C20H42",
    "smiles": "CCCCCCCCCCCCCCCCCCCC",
    "alternateName": [],
    "sameAs": [
        "https://identifiers.org/cas/112-95-8",
        "https://identifiers.org/ChEBI/CHEBI:43619",
        "https://identifiers.org/ChEMBL/CHEMBL1233983",
        "https://identifiers.org/lipidmaps/LMFA11000571",
        "https://identifiers.org/metabolights/MTBLC43619",
        "https://identifiers.org/pdb.ligand/LFA",
        "https://identifiers.org/pubchem.compound/8222"
    ]
}