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CHEBI:84326 - cholesteryl heptadecanoate

ChEBI IDCHEBI:84326
ChEBI Namecholesteryl heptadecanoate
Stars
DefinitionA cholesterol ester obtained by the formal condensation of cholesterol with margaric acid.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC44H78O2
Net Charge0
Average Mass639.106
Monoisotopic Mass638.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCCCCCCCCCCC)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/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
InChIKeyPPQNZVDOBYGOLY-BFGJSWSOSA-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 heptadecanoate (CHEBI:84326) has functional parent heptadecanoic acid (CHEBI:32365)
cholesteryl heptadecanoate (CHEBI:84326) has role mouse metabolite (CHEBI:75771)
cholesteryl heptadecanoate (CHEBI:84326) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
(3β)-cholest-5-en-3-yl heptadecanoate
Synonyms  Source
CE(17:0)HMDB
17:0 Cholesteryl esterLIPID MAPS
Manual XrefsDatabases
HMDB0060059HMDB
LMST01020026LIPID MAPS
Registry NumbersSources
Reaxys:6547818Reaxys
Citations