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CHEBI:84329 - cholesteryl (9Z)-heptadecenoate

ChEBI IDCHEBI:84329
ChEBI Namecholesteryl (9Z)-heptadecenoate
Stars
ASCII Namecholesteryl (9Z)-heptadecenoate
DefinitionA cholesterol ester obtained by the formal condensation of cholesterol with cis-9-heptadecenoic acid.
Last Modified27 June 2017
Submitternamrata
DownloadsMolfile
FormulaC44H76O2
Net Charge0
Average Mass637.090
Monoisotopic Mass636.58453
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCC)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/C44H76O2/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/h13-14,25,34-35,37-41H,7-12,15-24,26-33H2,1-6H3/b14-13-/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
InChIKeyRLMIGWIAENJHMP-RJRTUNKTSA-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 (9Z)-heptadecenoate (CHEBI:84329) has functional parent (9Z)-heptadecenoic acid (CHEBI:84328)
cholesteryl (9Z)-heptadecenoate (CHEBI:84329) has role mouse metabolite (CHEBI:75771)
cholesteryl (9Z)-heptadecenoate (CHEBI:84329) is a CE(17:1) (CHEBI:137554)
IUPAC Name 
(3β)-cholest-5-en-3-yl (9Z)-heptadec-9-enoate
Synonym  Source
CE(17:1(9Z))LIPID MAPS
Manual XrefsDatabases
LMST01020023LIPID MAPS