EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:73075 - 3-hydroxylinoleoylcarnitine

Default Structure
ChEBI IDCHEBI:73075
ChEBI Name3-hydroxylinoleoylcarnitine
Stars
DefinitionAn O-acylcarnitine having 3-hydroxylinoleoyl as the acyl substituent.
Last Modified14 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC25H45NO5
Net Charge0
Average Mass439.637
Monoisotopic Mass439.32977
SMILESCCCCC/C=C\C/C=C\CCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H45NO5/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/h9-10,12-13,22-23,27H,5-8,11,14-21H2,1-4H3/b10-9-,13-12-
InChIKeyWQYXCASYXUFNSI-UTJQPWESSA-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-hydroxylinoleoylcarnitine (CHEBI:73075) has functional parent carnitine (CHEBI:17126)
3-hydroxylinoleoylcarnitine (CHEBI:73075) has role metabolite (CHEBI:25212)
3-hydroxylinoleoylcarnitine (CHEBI:73075) is a O-acylcarnitine (CHEBI:17387)
3-hydroxylinoleoylcarnitine (CHEBI:73075) is a ammonium betaine (CHEBI:35284)
3-hydroxylinoleoylcarnitine (CHEBI:73075) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-{[(9Z,12Z)-3-hydroxyoctadeca-9,12-dienoyl]oxy}-4-(trimethylammonio)butanoate
Synonyms  Source
3-hydroxy-9cis,12cis-octadecadienoylcarnitineChEBI
3-hydroxylinoleylcarnitineChEBI
(9Z,12Z)-3-hydroxyoctadeca-9,12-dienoylcarnitineChEBI
Citations