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CHEBI:85522 - O-3-methylglutaryl-L-carnitine

ChEBI IDCHEBI:85522
ChEBI NameO-3-methylglutaryl-L-carnitine
Stars
ASCII NameO-3-methylglutaryl-L-carnitine
DefinitionAn O-acyl-L-carnitine that is L-carnitine having a 3-methylglutaryl group as the acyl substituent
Last Modified22 April 2015
Submitternamrata
DownloadsMolfile
FormulaC13H23NO6
Net Charge0
Average Mass289.328
Monoisotopic Mass289.15254
SMILESCC(CC(=O)O)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)/t9?,10-/m1/s1
InChIKeyHFCPFJNSBPQJDP-QVDQXJPCSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-3-methylglutaryl-L-carnitine (CHEBI:85522) is a O-3-methylglutarylcarnitine (CHEBI:70857)
O-3-methylglutaryl-L-carnitine (CHEBI:85522) is a O-acyl-L-carnitine (CHEBI:75659)
IUPAC Name 
(3R)-3-[(4-carboxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate