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CHEBI:57885 - 3-dehydrocarnitine

ChEBI IDCHEBI:57885
ChEBI Name3-dehydrocarnitine
Stars
DefinitionAn ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3.
Last Modified23 October 2015
DownloadsMolfile
FormulaC7H13NO3
Net Charge0
Average Mass159.185
Monoisotopic Mass159.08954
SMILESC[N+](C)(C)CC(=O)CC(=O)[O-]
InChIInChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3
InChIKeyYNOWULSFLVIUDH-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-dehydrocarnitine (CHEBI:57885) has role human metabolite (CHEBI:77746)
3-dehydrocarnitine (CHEBI:57885) is a ammonium betaine (CHEBI:35284)
3-dehydrocarnitine (CHEBI:57885) is conjugate base of 3-dehydrocarnitinium (CHEBI:16758)
Incoming Relation(s)
3-dehydrocarnityl CoA (CHEBI:85886) has functional parent 3-dehydrocarnitine (CHEBI:57885)
3-dehydrocarnitinium (CHEBI:16758) is conjugate acid of 3-dehydrocarnitine (CHEBI:57885)
IUPAC Name 
3-oxo-4-(trimethylazaniumyl)butanoate
Synonym  Source
3-oxo-4-(trimethylammonio)butanoateChEBI
UniProt Name  Source
3-dehydrocarnitineUniProt
Manual XrefsDatabases
3-DehydrocarnitineWikipedia
HMDB0012154HMDB
Registry NumbersSources
Reaxys:5509427Reaxys
Citations