CHEBI:85518 - O-glutaconyl-L-carnitine

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ChEBI Name O-glutaconyl-L-carnitine
ChEBI ID CHEBI:85518
ChEBI ASCII Name O-glutaconyl-L-carnitine
Definition An O-acyl-L-carnitine where the acyl group specified is glutaconyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H19NO6
Net Charge 0
Average Mass 273.28240
Monoisotopic Mass 273.12124
InChI InChI=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+/t9-/m1/s1
InChIKey JXVUHLILXGZLFR-OTQAPUNGSA-N
SMILES C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)\C=C\CC(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via O-glutaconylcarnitine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing O-glutaconyl-L-carnitine (CHEBI:85518) is a O-acyl-L-carnitine (CHEBI:75659)
O-glutaconyl-L-carnitine (CHEBI:85518) is a O-glutaconylcarnitine (CHEBI:86081)
IUPAC Name
(3R)-3-{[(2E)-4-carboxybut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonym Source
(R)-glutaconylcarnitine ChEBI
Manual Xref Database
HMDB0013129 HMDB
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Last Modified
23 October 2015