Met000556: (S)-Methylmalonate semialdehyde
Metabolite Information
Name
(S)-Methylmalonate semialdehyde
IUPAC Name
(2S)-2-methyl-3-oxopropanoic acid
Molecular Formula
C4H6O3
Molecular Weight
102.09
Exact Mass
102.031694
SMILES
CC(C=O)C(=O)O
InChIKey
VOKUMXABRRXHAR-VKHMYHEASA-N
InChI
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbonyl compounds
Crops containing this metabolite
leonurus
Metabolite Spectrum Accession Label