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CHEBI:46898 - cholesteryl oleate

ChEBI IDCHEBI:46898
ChEBI Namecholesteryl oleate
Stars
DefinitionThe (Z)-stereoisomer of cholesteryl octadec-9-enoate.
Secondary ChEBI IDsCHEBI:34634, CHEBI:39859
Last Modified15 November 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC45H78O2
Net Charge0
Average Mass651.117
Monoisotopic Mass650.60018
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)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/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
InChIKeyRJECHNNFRHZQKU-RMUVNZEASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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  Source
Cholesteryl oleateKEGG COMPOUND
Cholest-5-en-3-beta-yl oleateKEGG COMPOUND
Cholesteryl cis-9-octadecenoateKEGG COMPOUND
CHOLESTERYL OLEATEPDBeChem
cholesteryl cis-9-octadecenoateChemIDplus
oleoylcholesterolChemIDplus
UniProt Name  Source
cholesteryl (9Z-octadecenoate)UniProt
Manual XrefsDatabases
C14641KEGG COMPOUND
2OBPDBeChem
LMST01020003LIPID MAPS
Registry NumbersSources
Reaxys:2343071Reaxys
CAS:303-43-5KEGG COMPOUND
CAS:303-43-5NIST Chemistry WebBook
CAS:303-43-5ChemIDplus
Citations