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

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ChEBI Name	(5Z)-13-carboxytridec-5-enoylcarnitine

ChEBI ID	CHEBI:73069

ChEBI ASCII Name	(5Z)-13-carboxytridec-5-enoylcarnitine

Definition	An O-acylcarnitine having (5Z)-13-carboxytridec-5-enoyl as the acyl substituent.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C21H37NO6

Net Charge

Average Mass

399.52160

Monoisotopic Mass

399.26209

InChI

InChI=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-

InChIKey

HXMYXBDOFWDFBU-CLFYSBASSA-N

SMILES

C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC\C=C/CCCCCCCC(O)=O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	(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)butanoate	IUPAC

Citation	Type	Source
23315938	PubMed citation	Europe PMC

Last Modified

04 July 2017