CHEBI:84341 - cholesteryl linolenate

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ChEBI Name cholesteryl linolenate
ChEBI ID CHEBI:84341
Definition A cholesterol ester obtained by the formal condensation of cholesterol with (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H74O2
Net Charge 0
Average Mass 647.06790
Monoisotopic Mass 646.569
InChI InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey FYMCIBHUFSIWCE-WVXFKAQASA-N
SMILES CC\C=C/C\C=C/C\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 linolenate (CHEBI:84341) has functional parent α-linolenic acid (CHEBI:27432)
cholesteryl linolenate (CHEBI:84341) has role mouse metabolite (CHEBI:75771)
cholesteryl linolenate (CHEBI:84341) is a cholesteryl octadecatrienoate (CHEBI:132004)
IUPAC Name
(3β)-cholest-5-en-3-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Synonyms Sources
18:3 Cholesteryl ester LIPID MAPS
CE(18:3(9Z,12Z,15Z)) LIPID MAPS
CE(18:3) LIPID MAPS
cholesteryl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChEBI
cholesteryl (9Z,12Z,15Z)-octadecatrienoate UniProt
Manual Xrefs Databases
HMDB0010370 HMDB
LMST01020009 LIPID MAPS
View more database links
Registry Numbers Types Sources
2343203 Reaxys Registry Number Reaxys
2545-22-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
4472397 PubMed citation Europe PMC
9167940 PubMed citation Europe PMC
Last Modified
14 June 2017