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CHEBI:85093 - O-fumaryl-L-carnitine

ChEBI IDCHEBI:85093
ChEBI NameO-fumaryl-L-carnitine
Stars
ASCII NameO-fumaryl-L-carnitine
DefinitionAn O-acyl-L-carnitine in which the acyl group is specified as fumaryl.
Last Modified3 August 2015
Submitternamrata
DownloadsMolfile
FormulaC11H17NO6
Net Charge0
Average Mass259.258
Monoisotopic Mass259.10559
SMILESC[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)/C=C/C(=O)O
InChIInChI=1S/C11H17NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h4-5,8H,6-7H2,1-3H3,(H-,13,14,15,16)/b5-4+/t8-/m1/s1
InChIKeyQMRSJQVUNCCUCI-WTSVBCDHSA-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-fumaryl-L-carnitine (CHEBI:85093) has functional parent fumaric acid (CHEBI:18012)
O-fumaryl-L-carnitine (CHEBI:85093) has role metabolite (CHEBI:25212)
O-fumaryl-L-carnitine (CHEBI:85093) is a O-acyl-L-carnitine (CHEBI:75659)
O-fumaryl-L-carnitine (CHEBI:85093) is a O-fumarylcarnitine (CHEBI:87264)
IUPAC Name 
(3R)-3-[({[(2E)-3-carboxyprop-2-enoyl]oxy}carbonyl)oxy]-4-(trimethylammonio)butanoate