CHEBI:41509 - cholesteryl linoleate

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ChEBI Name cholesteryl linoleate
ChEBI ID CHEBI:41509
Definition The (9Z,12Z)-stereoisomer of cholesteryl octadeca-9,12-dienoate.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:84337
Supplier Information
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Formula C45H76O2
Net Charge 0
Average Mass 649.08374
Monoisotopic Mass 648.58453
InChI InChI=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
InChIKey NAACPBBQTFFYQB-LJAITQKLSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)CCCC(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing 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 cholesteryl octadeca-9,12-dienoate (CHEBI:46903)
IUPAC Name
(3β)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms Sources
(3β)-cholest-5-en-3-ol, (9Z,12Z)-9,12-octadecadienoate ChemIDplus
(3β)-cholest-5-en-3-ol, (Z,Z)-9,12-octadecadienoate ChemIDplus
(Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate KEGG COMPOUND
18:2 Cholesteryl ester LIPID MAPS
CE(18:2(9Z,12Z)) LIPID MAPS
CE(18:2) LIPID MAPS
cholest-5-en-3β-yl (Z,Z)-octadeca-9,12-dienoate ChemIDplus
cholesteryl (9Z,12Z)-octadecadienoate UniProt
CHOLESTERYL LINOLEATE PDBeChem
Manual Xrefs Databases
C15441 KEGG COMPOUND
CLL PDBeChem
DB02092 DrugBank
LMST01020008 LIPID MAPS
View more database links
Registry Numbers Types Sources
2343143 Beilstein Registry Number Beilstein
604-33-1 CAS Registry Number ChemIDplus
Last Modified
12 June 2017