FAIRMD Lipids

Lipid n-Triacontane

Name	n-Triacontane
Molecule	C30
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/C30 main

Property	Value
iupacName	triacontane
molecularFormula	C30H62
molecularWeight	422.8
inChI	InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
inChIKey	JXTPJDDICSTXJX-UHFFFAOYSA-N
smiles	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL1482375?dimensions=200

Database	External ID
ChEBI	CHEBI:31006
ChEMBL	CHEMBL1482375
lipidmaps	LMFA11000588
metabolights	MTBLC31006
pubchem.compound	12535

CH3‒[CH2]28‒CH3
n-triacontane

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/33",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "n-Triacontane",
    "url": "https://databank.nmrlipids.fi/lipid/33",
    "inChI": "InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",
    "inChIKey": "JXTPJDDICSTXJX-UHFFFAOYSA-N",
    "iupacName": "triacontane",
    "molecularFormula": "C30H62",
    "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC",
    "alternateName": [
        "CH3\u2012[CH2]28\u2012CH3",
        "n-triacontane"
    ],
    "image": "https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL1482375?dimensions=200",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:31006",
        "https://identifiers.org/ChEMBL/CHEMBL1482375",
        "https://identifiers.org/lipidmaps/LMFA11000588",
        "https://identifiers.org/metabolights/MTBLC31006",
        "https://identifiers.org/pubchem.compound/12535"
    ]
}