EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86081 - O-glutaconylcarnitine

ChEBI IDCHEBI:86081
ChEBI NameO-glutaconylcarnitine
Stars
ASCII NameO-glutaconylcarnitine
DefinitionAn O-acylcarnitine in which the acyl group specified is glutaconyl.
Last Modified18 June 2015
Submitternamrata
DownloadsMolfile
FormulaC12H19NO6
Net Charge0
Average Mass273.285
Monoisotopic Mass273.12124
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C=C/CC(=O)O
InChIInChI=1S/C12H19NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h4,6,9H,5,7-8H2,1-3H3,(H-,14,15,16,17)/b6-4+
InChIKeyJXVUHLILXGZLFR-GQCTYLIASA-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-glutaconylcarnitine (CHEBI:86081) has functional parent (E)-glutaconic acid (CHEBI:15670)
O-glutaconylcarnitine (CHEBI:86081) has role metabolite (CHEBI:25212)
O-glutaconylcarnitine (CHEBI:86081) is a O-acylcarnitine (CHEBI:17387)
Incoming Relation(s)
O-glutaconyl-L-carnitine (CHEBI:85518) is a O-glutaconylcarnitine (CHEBI:86081)
IUPAC Name 
3-{[(2E)-4-carboxybut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate