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CHEBI:78242 - cholesteryl acetate

ChEBI IDCHEBI:78242
ChEBI Namecholesteryl acetate
Stars
DefinitionA cholesterol ester obtained by formal acylation of the hydroxy group of cholesterol by acetic acid.
Last Modified14 April 2014
SubmitterSteve
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@@]12CC=C3C[C@@H](OC(C)=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyXUGISPSHIFXEHZ-VEVYEIKRSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
cholesteryl acetate (CHEBI:78242) has role human metabolite (CHEBI:77746)
cholesteryl acetate (CHEBI:78242) is a acetate ester (CHEBI:47622)
cholesteryl acetate (CHEBI:78242) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
(3β)-cholest-5-en-3-yl acetate
Synonyms  Source
3β-acetoxycholest-5-eneLIPID MAPS
3beta-Acetoxycholest-5-eneChemIDplus
Cholesterol acetateHMDB
(-)-Cholesteryl acetateHMDB
cholest-5-en-3β-ol acetateHMDB
cholest-5-en-3β-yl acetateHMDB
Manual XrefsDatabases
LMST01010245LIPID MAPS
HMDB0003822HMDB
Registry NumbersSources
Reaxys:2064235Reaxys
CAS:604-35-3ChemIDplus
CAS:604-35-3NIST Chemistry WebBook
Citations