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CHEBI:84304 - cholesteryl myristate

Default Structure
ChEBI IDCHEBI:84304
ChEBI Namecholesteryl myristate
Stars
DefinitionA cholesterol ester obtained by the formal condensation of the hydroxy group of cholesterol with the carboxy group of myristic acid.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC41H72O2
Net Charge0
Average Mass597.025
Monoisotopic Mass596.55323
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCCCCCC)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/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
InChIKeySJDMTGSQPOFVLR-ZPQCIJQQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
cholesteryl myristate (CHEBI:84304) has role mouse metabolite (CHEBI:75771)
cholesteryl myristate (CHEBI:84304) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
(3β)-cholest-5-en-3-yl tetradecanoate
Synonyms  Source
1-Myristoyl-cholesterolHMDB
CE(14:0)HMDB
CE(14:0/0:0)HMDB
Cholesterol 1-tetradecanoic acidHMDB
Cholesterol Ester(14:0)HMDB
Cholesterol Ester(14:0/0:0)HMDB
Manual XrefsDatabases
HMDB0006725HMDB
LMST01020004LIPID MAPS
Registry NumbersSources
Reaxys:2068082Reaxys
CAS:1989-52-2ChemIDplus
Citations