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CHEBI:73071 - O-(13-carboxytridecanoyl)carnitine

ChEBI IDCHEBI:73071
ChEBI NameO-(13-carboxytridecanoyl)carnitine
Stars
ASCII NameO-(13-carboxytridecanoyl)carnitine
DefinitionAn O-acylcarnitine having 13-carboxytridecanoyl as the acyl substituent.
Last Modified14 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H39NO6
Net Charge0
Average Mass401.544
Monoisotopic Mass401.27774
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C21H39NO6/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/h18H,4-17H2,1-3H3,(H-,23,24,25,26)
InChIKeyAHBCTRVDGQMKHC-UHFFFAOYSA-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)
O-(13-carboxytridecanoyl)carnitine (CHEBI:73071) has functional parent carnitine (CHEBI:17126)
O-(13-carboxytridecanoyl)carnitine (CHEBI:73071) has role metabolite (CHEBI:25212)
O-(13-carboxytridecanoyl)carnitine (CHEBI:73071) is a O-acylcarnitine (CHEBI:17387)
O-(13-carboxytridecanoyl)carnitine (CHEBI:73071) is a ammonium betaine (CHEBI:35284)
O-(13-carboxytridecanoyl)carnitine (CHEBI:73071) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-[(13-carboxytridecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-[(13-carboxytridecanoyl)oxy]-4-(trimethylammonio)butanoateIUPAC
13-carboxytridecanoylcarnitineChEBI
Citations