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CHEBI:82751 - cholesteryl arachidonate

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.
Last Modified5 November 2024
SubmitterAnneNiknejad
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:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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)
IUPAC Name 
(3β)-cholest-5-en-3-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Synonyms  Source
cholest-5-en-3β-yl (5Z,8Z,11Z,14Z-icosatetraenoate)SUBMITTER
cholesterol arachidonateSUBMITTER
CE(20:4)LIPID MAPS
20:4 Cholesteryl esterLIPID MAPS
CE(20:4(5Z,8Z,11Z,14Z))LIPID MAPS
cholest-5-en-3β-yl (5Z,8Z,11Z,14Z-eicosatetraenoate)LIPID MAPS
UniProt Name  Source
cholesteryl (5Z,8Z,11Z,14Z)-eicosatetraenoateUniProt
Manual XrefsDatabases
LMST01020014LIPID MAPS
HMDB0006726HMDB
Registry NumbersSources
Reaxys:2343317Reaxys
CAS:604-34-2ChemIDplus
Citations