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CHEBI:7347 - 2-trimethylaminoethylphosphonic acid

ChEBI IDCHEBI:7347
ChEBI Name2-trimethylaminoethylphosphonic acid
Stars
DefinitionA quaternary ammonium ion where three methyl groups and one 2-phosphoethyl group are attached to the nitrogen.
Last Modified27 January 2016
DownloadsMolfile
FormulaC5H15NO3P
Net Charge+1
Average Mass168.153
Monoisotopic Mass168.07841
SMILESC[N+](C)(C)CCP(=O)(O)O
InChIInChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKeyVCANKBLUHKRQLL-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-trimethylaminoethylphosphonic acid (CHEBI:7347) has functional parent phosphonic acid (CHEBI:44976)
2-trimethylaminoethylphosphonic acid (CHEBI:7347) has role mouse metabolite (CHEBI:75771)
2-trimethylaminoethylphosphonic acid (CHEBI:7347) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
N,N,N-trimethyl-2-phosphonoethanaminium
Synonym  Source
N,N,N-trimethyl-2-aminoethylphosphonic acidChEBI
Manual XrefsDatabases
C06459KEGG COMPOUND
Registry NumbersSources
Reaxys:1776920Reaxys