EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77237 - O-hexadecanedioyl-L-carnitine

ChEBI IDCHEBI:77237
ChEBI NameO-hexadecanedioyl-L-carnitine
Stars
ASCII NameO-hexadecanedioyl-L-carnitine
DefinitionAn O-acyl-L-carnitine in which the acyl group is specified as hexadecanedioyl.
Last Modified4 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC23H43NO6
Net Charge0
Average Mass429.598
Monoisotopic Mass429.30904
SMILESC[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)/t20-/m1/s1
InChIKeyUNHCPLSWMNPZTD-HXUWFJFHSA-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-hexadecanedioyl-L-carnitine (CHEBI:77237) is a O-(15-carboxypentadecanoyl)carnitine (CHEBI:73081)
O-hexadecanedioyl-L-carnitine (CHEBI:77237) is a O-acyl-L-carnitine (CHEBI:75659)
O-hexadecanedioyl-L-carnitine (CHEBI:77237) is conjugate acid of O-hexadecanedioyl-L-carnitine(1−) (CHEBI:77087)
Incoming Relation(s)
O-hexadecanedioyl-L-carnitine(1−) (CHEBI:77087) is conjugate base of O-hexadecanedioyl-L-carnitine (CHEBI:77237)
IUPAC Name 
(3R)-3-[(15-carboxypentadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
O-(15-carboxypentadecanoyl)-L-carnitineChEBI
(3R)-3-[(15-carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoateIUPAC