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CHEBI:73120 - (13Z,16Z)-docosadienoylcarnitine

ChEBI IDCHEBI:73120
ChEBI Name(13Z,16Z)-docosadienoylcarnitine
Stars
ASCII Name(13Z,16Z)-docosadienoylcarnitine
DefinitionAn O-acylcarnitine having (13Z,16Z)-docosadienoyl as the acyl substituent.
Last Modified14 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC29H53NO4
Net Charge0
Average Mass479.746
Monoisotopic Mass479.39746
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C29H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,27H,5-8,11,14-26H2,1-4H3/b10-9-,13-12-
InChIKeyLDIMXAXYWUCEAM-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)
(13Z,16Z)-docosadienoylcarnitine (CHEBI:73120) has functional parent carnitine (CHEBI:17126)
(13Z,16Z)-docosadienoylcarnitine (CHEBI:73120) has role metabolite (CHEBI:25212)
(13Z,16Z)-docosadienoylcarnitine (CHEBI:73120) is a O-acylcarnitine (CHEBI:17387)
(13Z,16Z)-docosadienoylcarnitine (CHEBI:73120) is a ammonium betaine (CHEBI:35284)
(13Z,16Z)-docosadienoylcarnitine (CHEBI:73120) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-4-(trimethylammonio)butanoateIUPAC
13-cis,16-cis-docosadienoylcarnitineChEBI
Citations