CHEBI:84352 - cholesteryl behenate

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ChEBI Name cholesteryl behenate
ChEBI ID CHEBI:84352
Definition A cholesterol ester obtained by the formal condensation of cholesterol with behenic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H88O2
Net Charge 0
Average Mass 709.22180
Monoisotopic Mass 708.67843
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
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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cholesteryl behenate (CHEBI:84352) has functional parent docosanoic acid (CHEBI:28941)
cholesteryl behenate (CHEBI:84352) has role mouse metabolite (CHEBI:75771)
cholesteryl behenate (CHEBI:84352) is a cholesteryl ester (CHEBI:17002)
IUPAC Name
(3β)-cholest-5-en-3-yl docosanoate
Synonyms Sources
22:0 Cholesteryl ester LIPID MAPS
CE(22:0) LIPID MAPS
cholesteryl docosanoate ChEBI
Manual Xref Database
LMST01020016 LIPID MAPS
View more database links
Registry Numbers Types Sources
2318876 Reaxys Registry Number Reaxys
61510-09-6 CAS Registry Number ChemIDplus
Last Modified
23 October 2015