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CHEBI:82751 - cholesteryl arachidonate

Default Structure
ChEBI IDCHEBI:82751
ChEBI Namecholesteryl arachidonate
Stars
DefinitionA cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of arachidonic acid.
Secondary ChEBI IDCHEBI:84351
Last Modified5 November 2024
SubmitterAnneNiknejad, namrata
DownloadsMolfile
FormulaC47H76O2
Net Charge0
Average Mass673.123
Monoisotopic Mass672.58453
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCC/C=C\C/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/C47H76O2/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/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKeyIMXSFYNMSOULQS-BEDFLICRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
cholesteryl arachidonate (CHEBI:82751) has functional parent arachidonic acid (CHEBI:15843)
cholesteryl arachidonate (CHEBI:82751) has role antibacterial agent (CHEBI:33282)
cholesteryl arachidonate (CHEBI:82751) has role mouse metabolite (CHEBI:75771)
cholesteryl arachidonate (CHEBI:82751) is a cholesteryl icosatetraenoate (CHEBI:132006)
cholesteryl arachidonate (CHEBI:82751) is a unclassifieds (CHEBI:27189)
IUPAC Name 
(3β)-cholest-5-en-3-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Synonyms  Source
20:4 Cholesteryl esterLIPID MAPS
CE(20:4)LIPID MAPS
CE(20:4(5Z,8Z,11Z,14Z))LIPID MAPS
cholest-5-en-3β-yl (5Z,8Z,11Z,14Z-eicosatetraenoate)LIPID MAPS
cholest-5-en-3β-yl (5Z,8Z,11Z,14Z-icosatetraenoate)SUBMITTER
cholesterol arachidonateSUBMITTER
UniProt Name  Source
cholesteryl (5Z,8Z,11Z,14Z)-eicosatetraenoateUniProt
Manual XrefsDatabases
HMDB0006726HMDB
LMST01020014LIPID MAPS
Registry NumbersSources
Reaxys:2343317Reaxys
CAS:604-34-2ChemIDplus
Citations