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

ChEBI IDCHEBI:84346
ChEBI Namecholesteryl all-cis-icosa-8,11,14-trienoate
Stars
ASCII Namecholesteryl all-cis-icosa-8,11,14-trienoate
DefinitionA cholesterol ester obtained by the formal condensation of cholesterol with all-cis-icosa-8,11,14-trienoic acid.
Last Modified30 August 2017
Submitternamrata
DownloadsMolfile
FormulaC47H78O2
Net Charge0
Average Mass675.139
Monoisotopic Mass674.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)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/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
InChIKeyMLPRJPSMAFZPLA-BBFGHUFCSA-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 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  Source
cholesteryl (8Z,11Z,14Z)-icosa-8,11,14-trienoateChEBI
20:3 Cholesteryl esterLIPID MAPS
CE(20:3(8Z,11Z,14Z))LIPID MAPS
CE(20:3)LIPID MAPS
UniProt Name  Source
cholesteryl (8Z,11Z,14Z)-eicosatrienoateUniProt
Manual XrefsDatabases
LMST01020013LIPID MAPS