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CHEBI:41139 - N,N,N-trimethylglycinium

ChEBI IDCHEBI:41139
ChEBI NameN,N,N-trimethylglycinium
Stars
ASCII NameN,N,N-trimethylglycinium
DefinitionA quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl.
Secondary ChEBI IDsCHEBI:12531, CHEBI:41134
Last Modified17 February 2016
DownloadsMolfile
FormulaC5H12NO2
Net Charge+1
Average Mass118.156
Monoisotopic Mass118.08626
SMILESC[N+](C)(C)CC(=O)O
InChIInChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
InChIKeyKWIUHFFTVRNATP-UHFFFAOYSA-O
Roles Classification
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
N,N,N-trimethylglycinium (CHEBI:41139) has role fundamental metabolite (CHEBI:78675)
N,N,N-trimethylglycinium (CHEBI:41139) is a quaternary ammonium ion (CHEBI:35267)
N,N,N-trimethylglycinium (CHEBI:41139) is conjugate acid of glycine betaine (CHEBI:17750)
Incoming Relation(s)
glycine betaine hydrate (CHEBI:91242) has part N,N,N-trimethylglycinium (CHEBI:41139)
glycine betaine (CHEBI:17750) is conjugate base of N,N,N-trimethylglycinium (CHEBI:41139)
IUPAC Name 
carboxy-N,N,N-trimethylmethanaminium
Synonym  Source
TRIMETHYL GLYCINEPDBeChem
Manual XrefsDatabases
BETPDBeChem
DB04455DrugBank
ECMDB04024ECMDB
Registry NumbersSources
Beilstein:1758492Beilstein
Gmelin:324712Gmelin
Reaxys:1758492Reaxys