CHEBI:78242 - cholesteryl acetate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name cholesteryl acetate ChEBI ID CHEBI:78242 Definition A cholesterol ester obtained by formal acylation of the hydroxy group of cholesterol by acetic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H48O2 Net Charge 0 Average Mass 428.69020 Monoisotopic Mass 428.36543 InChI InChI=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 InChIKey XUGISPSHIFXEHZ-VEVYEIKRSA-N SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources (-)-Cholesteryl acetate HMDB (3β)-cholest-5-en-3-ol acetate HMDB 3-Cholesteryl acetate HMDB 3beta-Acetoxycholest-5-ene ChemIDplus 3β-acetoxycholest-5-ene LIPID MAPS 5-cholesten-3β-ol acetate NIST Chemistry WebBook Cholest-5-en-3beta-ol acetate ChemIDplus cholest-5-en-3β-ol acetate HMDB Cholest-5-en-3beta-yl acetate ChemIDplus cholest-5-en-3β-yl acetate HMDB Cholesterol 3-acetate HMDB cholesterol 3β-acetate HMDB Cholesterol acetate HMDB Manual Xrefs Databases HMDB0003822 HMDB LMST01010245 LIPID MAPS View more database links Registry Numbers Types Sources 2064235 Reaxys Registry Number Reaxys 604-35-3 CAS Registry Number NIST Chemistry WebBook 604-35-3 CAS Registry Number ChemIDplus Citations Types Sources 16099704 PubMed citation Europe PMC 23027975 PubMed citation Europe PMC 24598142 PubMed citation Europe PMC Last Modified 14 April 2014