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CHEBI:73069 - (5Z)-13-carboxytridec-5-enoylcarnitine

ChEBI IDCHEBI:73069
ChEBI Name(5Z)-13-carboxytridec-5-enoylcarnitine
Stars
ASCII Name(5Z)-13-carboxytridec-5-enoylcarnitine
DefinitionAn O-acylcarnitine having (5Z)-13-carboxytridec-5-enoyl as the acyl substituent.
Last Modified4 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC21H37NO6
Net Charge0
Average Mass399.528
Monoisotopic Mass399.26209
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C21H37NO6/c1-22(2,3)17-18(16-20(25)26)28-21(27)15-13-11-9-7-5-4-6-8-10-12-14-19(23)24/h7,9,18H,4-6,8,10-17H2,1-3H3,(H-,23,24,25,26)/b9-7-
InChIKeyHXMYXBDOFWDFBU-CLFYSBASSA-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)
(5Z)-13-carboxytridec-5-enoylcarnitine (CHEBI:73069) has functional parent carnitine (CHEBI:17126)
(5Z)-13-carboxytridec-5-enoylcarnitine (CHEBI:73069) has role metabolite (CHEBI:25212)
(5Z)-13-carboxytridec-5-enoylcarnitine (CHEBI:73069) is a O-(carboxytridecenoyl)carnitine (CHEBI:137649)
(5Z)-13-carboxytridec-5-enoylcarnitine (CHEBI:73069) is a ammonium betaine (CHEBI:35284)
(5Z)-13-carboxytridec-5-enoylcarnitine (CHEBI:73069) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-{[(5Z)-13-carboxytridec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonym  Source
3-{[(5Z)-13-carboxytridec-5-enoyl]oxy}-4-(trimethylammonio)butanoateIUPAC
Citations