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CHEBI:73116 - (9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine

ChEBI IDCHEBI:73116
ChEBI Name(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine
Stars
ASCII Name(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine
DefinitionAn O-acylcarnitine having (9Z,12Z,15Z)-3-hydroxyoctadecatrienoyl as the acyl substituent.
Last Modified14 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC25H43NO5
Net Charge0
Average Mass437.621
Monoisotopic Mass437.31412
SMILESCC/C=C\C/C=C\C/C=C\CCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H43NO5/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/h6-7,9-10,12-13,22-23,27H,5,8,11,14-21H2,1-4H3/b7-6-,10-9-,13-12-
InChIKeyZJZLUQLCVQGASB-QNEBEIHSSA-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)
(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine (CHEBI:73116) has functional parent carnitine (CHEBI:17126)
(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine (CHEBI:73116) has role metabolite (CHEBI:25212)
(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine (CHEBI:73116) is a O-acylcarnitine (CHEBI:17387)
(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine (CHEBI:73116) is a ammonium betaine (CHEBI:35284)
(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine (CHEBI:73116) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-{[(9Z,12Z,15Z)-3-hydroxyoctadeca-9,12,15-trienoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-{[(9Z,12Z,15Z)-3-hydroxyoctadeca-9,12,15-trienoyl]oxy}-4-(trimethylammonio)butanoateIUPAC
9--cis,12-cis,15-cis-3-hydroxyoctadecatrienoylcarnitineChEBI
Citations