cholesterol

Chemical Formula:

C₂₇H₄₆O

Molecular Weight:

386.66 Daltons

Monoisotopic Mass:

386.3548660987 Daltons

SMILES:

CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))

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

Synonyms

5-cholestene-3β-ol

Databases

MetaCyc: CHOLESTEROL

RefMet: Cholesterol

MetaboLights: MTBLC16113

HMDB: HMDB00067

DRUGBANK: DB04540

ChemSpider: 5775

PubChem (CID): 5997

ChEBI: 16113

KEGG: C00187

CAS: 57-88-5

PupChem (SID): 3487

CHEMBL: CHEMBL112570 CHEMBL1867358

LIPID MAPS: LMST01010001 LMST01010081

LIPIDBANK: SST0005 SST9061

PDB-CCD: CLR

3DMET: B01181

NIKKAJI: J2.804E

MediaDB: compounds/183/

Seed: cpd00160

MetaNetX: MNXM103

KNApSAcK: C00003648