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CHEBI:17059 - 2-methylcholine

Default Structure
ChEBI IDCHEBI:17059
ChEBI Name2-methylcholine
Stars
Secondary ChEBI IDsCHEBI:1202, CHEBI:11617, CHEBI:19694
Last Modified13 November 2017
DownloadsMolfile
FormulaC6H16NO
Net Charge+1
Average Mass118.200
Monoisotopic Mass118.12264
SMILESCC(O)C[N+](C)(C)C
InChIInChI=1S/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1
InChIKeyJPKKMFOXWKNEEN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methylcholine (CHEBI:17059) is a cholines (CHEBI:23217)
IUPAC Name 
2-hydroxy-N,N,N-trimethylpropanaminium
Synonyms  Source
2-MethylcholineKEGG COMPOUND
beta-MethylcholineChemIDplus
β-methylcholineChEBI
UniProt Name  Source
2-methylcholineUniProt
Manual XrefsDatabases
C02224KEGG COMPOUND
C02224KEGG COMPOUND
Registry NumbersSources
Beilstein:1738004Beilstein
Gmelin:362803Gmelin
CAS:7562-87-0ChemIDplus