FAIRMD Lipids

Lipid cholesterol

Name	cholesterol
Molecule	CHOL
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/CHOL main

Property	Value
iupacName	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
smiles	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
inChI	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
inChIKey	HVYWMOMLDIMFJA-DPAQBDIFSA-N
molecularFormula	C27H46O
molecularWeight	386.7
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL112570?dimensions=200

Database	External ID
ChEBI	CHEBI:16113
ChEMBL	CHEMBL112570
lipidmaps	LMST01010001
metabolights	MTBLC16113
pdb.ligand	CLR
pubchem.compound	5997
slm	SLM:000000287

(3β,14β,17α)-cholest-5-en-3-ol
Cholest-5-en-3beta-ol
Cholesterin
CHOLESTEROL

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/CHOL",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "cholesterol",
    "url": "https://databank.nmrlipids.fi/lipid/CHOL",
    "inChI": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",
    "inChIKey": "HVYWMOMLDIMFJA-DPAQBDIFSA-N",
    "iupacName": "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",
    "molecularFormula": "C27H46O",
    "smiles": "C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C",
    "alternateName": [
        "(3\u03b2,14\u03b2,17\u03b1)-cholest-5-en-3-ol",
        "Cholest-5-en-3beta-ol",
        "Cholesterin",
        "CHOLESTEROL"
    ],
    "image": "https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL112570?dimensions=200",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:16113",
        "https://identifiers.org/ChEMBL/CHEMBL112570",
        "https://identifiers.org/lipidmaps/LMST01010001",
        "https://identifiers.org/metabolights/MTBLC16113",
        "https://identifiers.org/pdb.ligand/CLR",
        "https://identifiers.org/pubchem.compound/5997",
        "https://identifiers.org/slm/SLM:000000287"
    ]
}