CHEBI:41139 - N,N,N-trimethylglycinium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N,N,N-trimethylglycinium
ChEBI ID CHEBI:41139
ChEBI ASCII Name N,N,N-trimethylglycinium
Definition A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41134, CHEBI:12531
Supplier Information
Download Molfile XML SDF
Formula C5H12NO2
Net Charge +1
Average Mass 118.154
Monoisotopic Mass 118.08626
InChI InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
InChIKey KWIUHFFTVRNATP-UHFFFAOYSA-O
SMILES [N+](C)(C)(C)CC(=O)O
Roles Classification
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 GLYCINE PDBeChem
Manual Xrefs Databases
BET PDBeChem
DB04455 DrugBank
ECMDB04024 ECMDB
View more database links
Registry Numbers Types Sources
1758492 Beilstein Registry Number Beilstein
1758492 Reaxys Registry Number Reaxys
324712 Gmelin Registry Number Gmelin
Last Modified
17 February 2016