FAIRMD Lipids

Lipid n-Decane

Name	n-Decane
Molecule	C10
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/C10 main

Property	Value
iupacName	decane
molecularFormula	C10H22
molecularWeight	142.28
inChI	InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
inChIKey	DIOQZVSQGTUSAI-UHFFFAOYSA-N
smiles	CCCCCCCCCC
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL134537?dimensions=200
iupacName	decane
molecularFormula	C10H22
molecularWeight	142.28
inChI	InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
inChIKey	DIOQZVSQGTUSAI-UHFFFAOYSA-N
smiles	CCCCCCCCCC
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL134537?dimensions=200

Database	External ID
cas	124-18-5
ChEBI	CHEBI:41808
ChEMBL	CHEMBL134537
lipidmaps	LMFA11000568
pdb.ligand	D10
pubchem.compound	8222

n-decane
n-Dekan
CH₃‒[CH₂]₈‒CH₃
DECANE
Dekan

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank2.nmrlipids.fi/lipid/54",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "n-Decane",
    "url": "https://databank2.nmrlipids.fi/lipid/54",
    "inChI": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",
    "inChIKey": "DIOQZVSQGTUSAI-UHFFFAOYSA-N",
    "iupacName": "decane",
    "molecularFormula": "C10H22",
    "smiles": "CCCCCCCCCC",
    "alternateName": [
        "n-decane",
        "n-Dekan",
        "CH₃\u2012[CH₂]₈\u2012CH₃",
        "DECANE",
        "Dekan"
    ],
    "image": "https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL134537?dimensions=200",
    "sameAs": [
        "https://identifiers.org/cas/124-18-5",
        "https://identifiers.org/ChEBI/CHEBI:41808",
        "https://identifiers.org/ChEMBL/CHEMBL134537",
        "https://identifiers.org/lipidmaps/LMFA11000568",
        "https://identifiers.org/pdb.ligand/D10",
        "https://identifiers.org/pubchem.compound/8222"
    ]
}