CHEBI:84329 - cholesteryl (9Z)-heptadecenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholesteryl (9Z)-heptadecenoate
ChEBI ID CHEBI:84329
ChEBI ASCII Name cholesteryl (9Z)-heptadecenoate
Definition A cholesterol ester obtained by the formal condensation of cholesterol with cis-9-heptadecenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H76O2
Net Charge 0
Average Mass 637.07300
Monoisotopic Mass 636.58453
InChI InChI=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
InChIKey RLMIGWIAENJHMP-RJRTUNKTSA-N
SMILES CCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
LMST01020023 LIPID MAPS
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Last Modified
27 June 2017