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CHEBI:73042 - O-[(2E)-hexenedioyl]carnitine

ChEBI IDCHEBI:73042
ChEBI NameO-[(2E)-hexenedioyl]carnitine
Stars
ASCII NameO-[(2E)-hexenedioyl]carnitine
DefinitionAn O-acylcarnitine having (2E)-hexenedioyl as the acyl substituent.
Last Modified12 February 2016
Submittermwilliams
DownloadsMolfile
FormulaC13H21NO6
Net Charge0
Average Mass287.312
Monoisotopic Mass287.13689
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C=C/CCC(=O)O
InChIInChI=1S/C13H21NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h5,7,10H,4,6,8-9H2,1-3H3,(H-,15,16,17,18)/b7-5+
InChIKeyXBOISISLTCYSPV-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- MetaboLights (MTBLS30)
- PubMed (23315938)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
O-[(2E)-hexenedioyl]carnitine (CHEBI:73042) has functional parent carnitine (CHEBI:17126)
O-[(2E)-hexenedioyl]carnitine (CHEBI:73042) has role mouse metabolite (CHEBI:75771)
O-[(2E)-hexenedioyl]carnitine (CHEBI:73042) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms  Source
trans-2-hexenedioylcarnitineChEBI
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylammonio)butanoateIUPAC
(2E)-hexenedioylcarnitineChEBI
Citations