CHEBI:7347 - 2-trimethylaminoethylphosphonic acid

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ChEBI Name 2-trimethylaminoethylphosphonic acid
ChEBI ID CHEBI:7347
Definition A quaternary ammonium ion where three methyl groups and one 2-phosphoethyl group are attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H15NO3P
Net Charge +1
Average Mass 168.15130
Monoisotopic Mass 168.07841
InChI InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKey VCANKBLUHKRQLL-UHFFFAOYSA-O
SMILES C[N+](C)(C)CCP(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acid ChEBI
Manual Xref Database
C06459 KEGG COMPOUND
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Registry Number Type Source
1776920 Reaxys Registry Number Reaxys
Last Modified
27 January 2016