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CHEBI:73039 - O-octanoylcarnitine

ChEBI IDCHEBI:73039
ChEBI NameO-octanoylcarnitine
Stars
ASCII NameO-octanoylcarnitine
DefinitionAn O-acylcarnitine having octanoyl as the acyl substituent.
Last Modified27 August 2015
Submittermwilliams
DownloadsMolfile
FormulaC15H29NO4
Net Charge0
Average Mass287.400
Monoisotopic Mass287.20966
SMILESCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3
InChIKeyCXTATJFJDMJMIY-UHFFFAOYSA-N
Roles Classification
Biological Role:
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-octanoylcarnitine (CHEBI:73039) has role metabolite (CHEBI:25212)
O-octanoylcarnitine (CHEBI:73039) is a O-acylcarnitine (CHEBI:17387)
O-octanoylcarnitine (CHEBI:73039) is a octanoate ester (CHEBI:87657)
Incoming Relation(s)
O-octanoyl-D-carnitine (CHEBI:86051) is a O-octanoylcarnitine (CHEBI:73039)
O-octanoyl-L-carnitine (CHEBI:18102) is a O-octanoylcarnitine (CHEBI:73039)
IUPAC Name 
3-(octanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-(octanoyloxy)-4-(trimethylammonio)butanoateIUPAC
octanoylcarnitineChEBI
Registry NumbersSources
Reaxys:4142987Reaxys
CAS:3671-77-0ChemIDplus
Citations