CHEBI:46898 - cholesteryl oleate

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ChEBI Name cholesteryl oleate
ChEBI ID CHEBI:46898
Definition The (Z)-stereoisomer of cholesteryl octadec-9-enoate.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34634, CHEBI:39859
Supplier Information
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Formula C45H78O2
Net Charge 0
Average Mass 651.09962
Monoisotopic Mass 650.60018
InChI InChI=1S/C45H78O2/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/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKey RJECHNNFRHZQKU-RMUVNZEASA-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/CCCCCCCC)[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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cholesteryl oleate (CHEBI:46898) has functional parent oleic acid (CHEBI:16196)
cholesteryl oleate (CHEBI:46898) has role mouse metabolite (CHEBI:75771)
cholesteryl oleate (CHEBI:46898) is a CE(18:1) (CHEBI:183800)
cholesteryl oleate (CHEBI:46898) is a cholesteryl octadec-9-enoate (CHEBI:46900)
IUPAC Name
(3β)-cholest-5-en-3-yl (9Z)-octadec-9-enoate
Synonyms Sources
(3β)-cholest-5-en-3-ol, (Z)-9-octadecenoate NIST Chemistry WebBook
18:1 Cholesteryl ester LIPID MAPS
CE(18:1(9Z)) LIPID MAPS
CE(18:1) LIPID MAPS
Cholest-5-en-3-beta-yl oleate KEGG COMPOUND
cholest-5-en-3-yl (9Z)-9-octadecenoate NIST Chemistry WebBook
cholesteryl (9Z-octadecenoate) UniProt
Cholesteryl cis-9-octadecenoate KEGG COMPOUND
cholesteryl cis-9-octadecenoate ChemIDplus
CHOLESTERYL OLEATE PDBeChem
Cholesteryl oleate KEGG COMPOUND
oleoylcholesterol ChemIDplus
Manual Xrefs Databases
2OB PDBeChem
C14641 KEGG COMPOUND
LMST01020003 LIPID MAPS
View more database links
Registry Numbers Types Sources
2343071 Beilstein Registry Number Beilstein
2343071 Reaxys Registry Number Reaxys
303-43-5 CAS Registry Number KEGG COMPOUND
303-43-5 CAS Registry Number ChemIDplus
303-43-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
25188363 PubMed citation Europe PMC
25528432 PubMed citation Europe PMC
Last Modified
15 November 2021