Terminology Service for NFDI4Health

cholesteryl behenate

Go to external page http://purl.obolibrary.org/obo/CHEBI_84352


A cholesterol ester obtained by the formal condensation of cholesterol with behenic acid.

Term info

Label

cholesteryl behenate

Synonyms
  • (3beta)-cholest-5-en-3-yl docosanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta)-cholest-5-en-3-yl docosanoate [ IUPAC ]

charge

0

formula

C49H88O2

has obo namespace

chebi_ontology

has related synonym

cholesteryl docosanoate, 22:0 Cholesteryl ester, CE(22:0)

id

CHEBI:84352

inchi

InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

inchikey

WBOQXYUYHINMOC-FTAWAYKBSA-N

mass

709.22180

monoisotopicmass

708.67843

smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C