CHEBI:51453 - (S)-carnitinium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-carnitinium
ChEBI ID CHEBI:51453
ChEBI ASCII Name (S)-carnitinium
Definition A carnitinium that is the conjugate acid of (S)-carnitine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H16NO3
Net Charge +1
Average Mass 162.20688
Monoisotopic Mass 162.113
InChI InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1
InChIKey PHIQHXFUZVPYII-LURJTMIESA-O
SMILES C[N+](C)(C)C[C@@H](O)CC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
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).
(via carnitinium )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via carnitinium )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Numbers Types Sources
4291981 Beilstein Registry Number Beilstein
4291981 Reaxys Registry Number Reaxys
Last Modified
11 November 2014