CHEBI:84346 - cholesteryl all-cis-icosa-8,11,14-trienoate

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ChEBI Name cholesteryl all-cis-icosa-8,11,14-trienoate
ChEBI ID CHEBI:84346
ChEBI ASCII Name cholesteryl all-cis-icosa-8,11,14-trienoate
Definition A cholesterol ester obtained by the formal condensation of cholesterol with all-cis-icosa-8,11,14-trienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H78O2
Net Charge 0
Average Mass 675.12100
Monoisotopic Mass 674.60018
InChI InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey MLPRJPSMAFZPLA-BBFGHUFCSA-N
SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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 all-cis-icosa-8,11,14-trienoate (CHEBI:84346) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
cholesteryl all-cis-icosa-8,11,14-trienoate (CHEBI:84346) has role mouse metabolite (CHEBI:75771)
cholesteryl all-cis-icosa-8,11,14-trienoate (CHEBI:84346) is a cholesteryl icosatrienoate (CHEBI:138331)
IUPAC Name
(3β)-cholest-5-en-3-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Synonyms Sources
20:3 Cholesteryl ester LIPID MAPS
CE(20:3(8Z,11Z,14Z)) LIPID MAPS
CE(20:3) LIPID MAPS
cholesteryl (8Z,11Z,14Z)-eicosatrienoate UniProt
cholesteryl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChEBI
Manual Xref Database
LMST01020013 LIPID MAPS
View more database links
Last Modified
30 August 2017