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CHEBI:84318 - cholesteryl pentadecanoate

ChEBI IDCHEBI:84318
ChEBI Namecholesteryl pentadecanoate
Stars
DefinitionA cholesterol ester obtained by the formal condensation of cholesterol with pentadecanoic acid.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC42H74O2
Net Charge0
Average Mass611.052
Monoisotopic Mass610.56888
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCCCCCCC)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/C42H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h23,32-33,35-39H,7-22,24-31H2,1-6H3/t33-,35+,36+,37-,38+,39+,41+,42-/m1/s1
InChIKeyBDBPUUADYAQHAV-VUFYKUQQSA-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 pentadecanoate (CHEBI:84318) has functional parent pentadecanoic acid (CHEBI:42504)
cholesteryl pentadecanoate (CHEBI:84318) has role mouse metabolite (CHEBI:75771)
cholesteryl pentadecanoate (CHEBI:84318) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
(3β)-cholest-5-en-3-yl pentadecanoate
Synonyms  Source
CE(15:0)LIPID MAPS
15:0 cholesteryl esterHMDB
Manual XrefsDatabases
LMST01020027LIPID MAPS
Registry NumbersSources
Reaxys:6546372Reaxys