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CHEBI:41509 - cholesteryl linoleate

Default Structure
ChEBI IDCHEBI:41509
ChEBI Namecholesteryl linoleate
Stars
DefinitionThe (9Z,12Z)-stereoisomer of cholesteryl octadeca-9,12-dienoate.
Secondary ChEBI IDCHEBI:84337
Last Modified15 November 2021
Submitternamrata
DownloadsMolfile
FormulaC45H76O2
Net Charge0
Average Mass649.101
Monoisotopic Mass648.58453
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCC/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/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKeyNAACPBBQTFFYQB-LJAITQKLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
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).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
cholesteryl linoleate (CHEBI:41509) has functional parent linoleic acid (CHEBI:17351)
cholesteryl linoleate (CHEBI:41509) has role human metabolite (CHEBI:77746)
cholesteryl linoleate (CHEBI:41509) has role mouse metabolite (CHEBI:75771)
cholesteryl linoleate (CHEBI:41509) is a CE(18:2) (CHEBI:183799)
cholesteryl linoleate (CHEBI:41509) is a cholesteryl octadeca-9,12-dienoate (CHEBI:46903)
IUPAC Name 
(3β)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
18:2 Cholesteryl esterLIPID MAPS
(3β)-cholest-5-en-3-ol, (9Z,12Z)-9,12-octadecadienoateChemIDplus
(3β)-cholest-5-en-3-ol, (Z,Z)-9,12-octadecadienoateChemIDplus
CE(18:2)LIPID MAPS
CE(18:2(9Z,12Z))LIPID MAPS
cholest-5-en-3β-yl (Z,Z)-octadeca-9,12-dienoateChemIDplus
UniProt Name  Source
cholesteryl (9Z,12Z)-octadecadienoateUniProt
Manual XrefsDatabases
C15441KEGG COMPOUND
CLLPDBeChem
DB02092DrugBank
LMST01020008LIPID MAPS
Registry NumbersSources
Beilstein:2343143Beilstein
CAS:604-33-1ChemIDplus
CAS:604-33-1KEGG COMPOUND