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CHEBI:72689 - O-oleoylcarnitine

ChEBI IDCHEBI:72689
ChEBI NameO-oleoylcarnitine
Stars
ASCII NameO-oleoylcarnitine
DefinitionAn O-acylcarnitine having oleoyl as the acyl substituent.
Secondary ChEBI IDCHEBI:73073
Last Modified15 July 2015
Submittermwilliams
DownloadsMolfile
FormulaC25H47NO4
Net Charge0
Average Mass425.654
Monoisotopic Mass425.35051
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-
InChIKeyIPOLTUVFXFHAHI-SEYXRHQNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23078175)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
O-oleoylcarnitine (CHEBI:72689) has role human metabolite (CHEBI:77746)
O-oleoylcarnitine (CHEBI:72689) is a O-octadecenoylcarnitine (CHEBI:86475)
IUPAC Name 
3-[(9Z)-octadec-9-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-[(9Z)-octadec-9-enoyloxy]-4-(trimethylammonio)butanoateIUPAC
oleoylcarnitineChEBI
acylcarnitine C18:1ChEBI
cis-9-octadecenoylcarnitineChEBI
(9Z)-octadec-9-enoylcarnitineChEBI
Manual XrefsDatabases
HMDB0005065HMDB
Registry NumbersSources
Reaxys:23110795Reaxys
CAS:13962-05-5ChemIDplus
Citations