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CHEBI:51453 - (S)-carnitinium

ChEBI IDCHEBI:51453
ChEBI Name(S)-carnitinium
Stars
ASCII Name(S)-carnitinium
DefinitionA carnitinium that is the conjugate acid of (S)-carnitine.
Last Modified11 November 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H16NO3
Net Charge+1
Average Mass162.209
Monoisotopic Mass162.11247
SMILESC[N+](C)(C)C[C@@H](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/t6-/m0/s1
InChIKeyPHIQHXFUZVPYII-LURJTMIESA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (22770225)
Mus musculus (ncbitaxon:10090) - PubMed (23868375)
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).
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)
(S)-carnitinium (CHEBI:51453) has role human metabolite (CHEBI:77746)
(S)-carnitinium (CHEBI:51453) has role mouse metabolite (CHEBI:75771)
(S)-carnitinium (CHEBI:51453) is a carnitinium (CHEBI:3424)
(S)-carnitinium (CHEBI:51453) is conjugate acid of (S)-carnitine (CHEBI:11060)
(S)-carnitinium (CHEBI:51453) is enantiomer of (R)-carnitinium (CHEBI:39547)
Incoming Relation(s)
(S)-carnitine (CHEBI:11060) is conjugate base of (S)-carnitinium (CHEBI:51453)
(R)-carnitinium (CHEBI:39547) is enantiomer of (S)-carnitinium (CHEBI:51453)
IUPAC Name 
(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
Registry NumbersSources
Reaxys:4291981Reaxys