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

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ChEBI Name cholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate)
ChEBI ID CHEBI:84969
ChEBI ASCII Name cholesteryl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate)
Definition A cholesterol ester obtained by the formal condensation of cholesterol with all-cis-5,8,11,14,17-icosapentaenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H74O2
Net Charge 0
Average Mass 671.08930
Monoisotopic Mass 670.56888
InChI InChI=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
InChIKey XZFUGMCJZFRBKF-BDJFIEMMSA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=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).
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ChEBI Ontology
Outgoing 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 Sources
(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-cholesterol UniProt
CE(20:5(5Z,8Z,11Z,14Z,17Z)) HMDB
CE(20:5) LIPID MAPS
Manual Xrefs Databases
HMDB0006731 HMDB
LMST01020015 LIPID MAPS
View more database links
Last Modified
23 November 2020