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CHEBI:84969 - cholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate)

ChEBI IDCHEBI:84969
ChEBI Namecholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate)
Stars
ASCII Namecholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate)
DefinitionA cholesterol ester obtained by the formal condensation of cholesterol with all-cis-5,8,11,14,17-icosapentaenoic acid.
Last Modified23 November 2020
Submitternamrata
DownloadsMolfile
FormulaC47H74O2
Net Charge0
Average Mass671.107
Monoisotopic Mass670.56888
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)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/C47H74O2/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/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKeyXZFUGMCJZFRBKF-BDJFIEMMSA-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 (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) (CHEBI:84969) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
cholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) (CHEBI:84969) has role mouse metabolite (CHEBI:75771)
cholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) (CHEBI:84969) is a cholesteryl icosapentaenoate (CHEBI:132007)
Synonyms  Source
CE(20:5)LIPID MAPS
CE(20:5(5Z,8Z,11Z,14Z,17Z))HMDB
UniProt Name  Source
(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-cholesterolUniProt
Manual XrefsDatabases
LMST01020015LIPID MAPS
HMDB0006731HMDB