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CHEBI:84323 - cholesteryl palmitoleate

ChEBI IDCHEBI:84323
ChEBI Namecholesteryl palmitoleate
Stars
DefinitionA cholesterol ester obtained by the formal condensation of cholesterol with palmitoleic acid.
Last Modified29 May 2020
Submitternamrata
DownloadsMolfile
FormulaC43H74O2
Net Charge0
Average Mass623.063
Monoisotopic Mass622.56888
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)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/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
InChIKeyHODJWNWCVNUPAQ-XDOSKZMUSA-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 palmitoleate (CHEBI:84323) has functional parent palmitoleic acid (CHEBI:28716)
cholesteryl palmitoleate (CHEBI:84323) has role mouse metabolite (CHEBI:75771)
cholesteryl palmitoleate (CHEBI:84323) is a CE(16:1) (CHEBI:137552)
IUPAC Name 
(3β)-cholest-5-en-3-yl (9Z)-hexadec-9-enoate
Synonyms  Source
cholesterol cis-9-hexadecenoateChEBI
CE(16:1/0:0)HMDB
1-palmitoleoyl-cholesterolHMDB
(Z)-cholesterol 9-hexadecenoic acidHMDB
(Z)-cholesterol 9-hexadecenoateHMDB
CE(16:1n7/0:0)HMDB
UniProt Name  Source
cholesteryl (9Z)-hexadecenoateUniProt
Manual XrefsDatabases
HMDB0000658HMDB
LMST01020006LIPID MAPS
Registry NumbersSources
Reaxys:5669610Reaxys
CAS:16711-66-3ChemIDplus
Citations