EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139325 - 3-hydroxy-11Z-octadecenoylcarnitine

ChEBI IDCHEBI:139325
ChEBI Name3-hydroxy-11Z-octadecenoylcarnitine
Stars
ASCII Name3-hydroxy-11Z-octadecenoylcarnitine
DefinitionAn O-(hydroxyoctadecenoyl)carnitine having 3-hydroxy-11Z-octadecenoyl as the acyl substituent.
Last Modified19 May 2025
Submittermwilliams
DownloadsMolfile
FormulaC25H47NO5
Net Charge0
Average Mass441.653
Monoisotopic Mass441.34542
SMILESCCCCCC/C=C\CCCCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-
InChIKeyFMLYQPQCFBAOHS-KHPPLWFESA-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)
3-hydroxy-11Z-octadecenoylcarnitine (CHEBI:139325) is a O-(hydroxyoctadecenoyl)carnitine (CHEBI:86039)
Incoming Relation(s)
3-hydroxy-11Z-octadecenoyl-L-carnitine (CHEBI:234319) is a 3-hydroxy-11Z-octadecenoylcarnitine (CHEBI:139325)
IUPAC Name 
3-{[(11Z)-3-hydroxyoctadec-11-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Citations