EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86051 - O-octanoyl-D-carnitine

ChEBI IDCHEBI:86051
ChEBI NameO-octanoyl-D-carnitine
Stars
ASCII NameO-octanoyl-D-carnitine
DefinitionAn O-acyl-D-carnitine in which the acyl group specified as octanoyl.
Last Modified18 January 2018
Submitternamrata
DownloadsMolfile
FormulaC15H29NO4
Net Charge0
Average Mass287.400
Monoisotopic Mass287.20966
SMILESCCCCCCCC(=O)O[C@@H](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/t13-/m0/s1
InChIKeyCXTATJFJDMJMIY-ZDUSSCGKSA-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-octanoyl-D-carnitine (CHEBI:86051) is a O-acyl-D-carnitine (CHEBI:86043)
O-octanoyl-D-carnitine (CHEBI:86051) is a O-octanoylcarnitine (CHEBI:73039)
O-octanoyl-D-carnitine (CHEBI:86051) is enantiomer of O-octanoyl-L-carnitine (CHEBI:18102)
Incoming Relation(s)
O-octanoyl-L-carnitine (CHEBI:18102) is enantiomer of O-octanoyl-D-carnitine (CHEBI:86051)
IUPAC Name 
(3S)-3-(octanoyloxy)-4-(trimethylazaniumyl)butanoate