Met007278: Betaine
Metabolite Information
Name
Betaine
IUPAC Name
2-(trimethylazaniumyl)acetate
Molecular Formula
C5H11NO2
Molecular Weight
117.15
Exact Mass
117.0789786
SMILES
C[N+](C)(C)CC(=O)[O-]
InChIKey
KWIUHFFTVRNATP-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
s_miltiorrhiza
leonurus
sugar_maple
leonurus
sugar_maple
Metabolite Spectrum Accession Label