Met006531: 4-Methylaminobutyrate
Metabolite Information
Name
4-Methylaminobutyrate
IUPAC Name
4-(methylamino)butanoic acid
Molecular Formula
C5H11NO2
Molecular Weight
117.15
Exact Mass
117.0789786
SMILES
CNCCCC(=O)O
InChIKey
AOKCDAVWJLOAHG-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
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
soybean
Metabolite Spectrum Accession Label