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CHEBI:3424 - carnitinium

ChEBI IDCHEBI:3424
ChEBI Namecarnitinium
Stars
DefinitionA quaternary ammonium ion that is the the conjugate acid of carnitine.
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H16NO3
Net Charge+1
Average Mass162.209
Monoisotopic Mass162.11247
SMILESC[N+](C)(C)CC(O)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1
InChIKeyPHIQHXFUZVPYII-UHFFFAOYSA-O
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
carnitinium (CHEBI:3424) has functional parent γ-amino-β-hydroxybutyric acid (CHEBI:16080)
carnitinium (CHEBI:3424) has role human metabolite (CHEBI:77746)
carnitinium (CHEBI:3424) has role mouse metabolite (CHEBI:75771)
carnitinium (CHEBI:3424) is a quaternary ammonium ion (CHEBI:35267)
carnitinium (CHEBI:3424) is conjugate acid of carnitine (CHEBI:17126)
Incoming Relation(s)
3-dehydrocarnitinium (CHEBI:16758) has functional parent carnitinium (CHEBI:3424)
(R)-carnitinium (CHEBI:39547) is a carnitinium (CHEBI:3424)
(S)-carnitinium (CHEBI:51453) is a carnitinium (CHEBI:3424)
carnitine (CHEBI:17126) is conjugate base of carnitinium (CHEBI:3424)
IUPAC Name 
3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
Synonyms  Source
CarnitineKEGG COMPOUND
3-hydroxy-4-(trimethylammonio)butanoic acidChEBI
Manual XrefsDatabases
C00487KEGG COMPOUND
Registry NumbersSources
CAS:461-06-3KEGG COMPOUND
CAS:406-76-8KEGG COMPOUND