CHEBI:57885 - 3-dehydrocarnitine

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ChEBI Name 3-dehydrocarnitine ChEBI ID CHEBI:57885 Definition An ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C7H13NO3 Net Charge 0 Average Mass 159.18300 Monoisotopic Mass 159.08954 InChI InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3 InChIKey YNOWULSFLVIUDH-UHFFFAOYSA-N SMILES C[N+](C)(C)CC(=O)CC([O-])=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Synonyms Sources 3-dehydrocarnitine UniProt 3-oxo-4-(trimethylammonio)butanoate ChEBI Manual Xrefs Databases 3-Dehydrocarnitine Wikipedia HMDB0012154 HMDB View more database links Registry Numbers Types Sources 5509427 Reaxys Registry Number Reaxys 5509427 Beilstein Registry Number Beilstein Citations Types Sources 25037050 PubMed citation Europe PMC 4968678 PubMed citation Europe PMC Last Modified 23 October 2015