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CHEBI:73104 - O-(17-carboxyheptadecanoyl)carnitine

ChEBI IDCHEBI:73104
ChEBI NameO-(17-carboxyheptadecanoyl)carnitine
Stars
ASCII NameO-(17-carboxyheptadecanoyl)carnitine
DefinitionAn O-acylcarnitine having 17-carboxyheptadecanoyl as the acyl substituent.
Last Modified14 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC25H47NO6
Net Charge0
Average Mass457.652
Monoisotopic Mass457.34034
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H47NO6/c1-26(2,3)21-22(20-24(29)30)32-25(31)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23(27)28/h22H,4-21H2,1-3H3,(H-,27,28,29,30)
InChIKeyULCCGBCYWCYNIC-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-(17-carboxyheptadecanoyl)carnitine (CHEBI:73104) has functional parent carnitine (CHEBI:17126)
O-(17-carboxyheptadecanoyl)carnitine (CHEBI:73104) has role metabolite (CHEBI:25212)
O-(17-carboxyheptadecanoyl)carnitine (CHEBI:73104) is a O-acylcarnitine (CHEBI:17387)
O-(17-carboxyheptadecanoyl)carnitine (CHEBI:73104) is a ammonium betaine (CHEBI:35284)
O-(17-carboxyheptadecanoyl)carnitine (CHEBI:73104) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-[(17-carboxyheptadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-[(17-carboxyheptadecanoyl)oxy]-4-(trimethylammonio)butanoateIUPAC
17-carboxyheptadecanoylcarnitineChEBI
Citations