2.0 2012-10-10 12:17:41 -0600 2015-09-13 15:15:34 -0600 ECMDB23126 M2MDB003516 2-Methyl-3-oxopropanoate 2-Methyl-3-oxopropanoic acid is an intermediate in the metabolism of Propanoate. It is a substrate for 3-hydroxyisobutyrate dehydrogenase, Alanine--glyoxylate aminotransferase and Methylmalonate-semialdehyde dehydrogenase. (<i>S</i>)-2-methyl-3-oxopropanoate (<i>S</i>)-ch3-malonate-semialdehyde (s)-2-Methyl-3-oxopropanoate (s)-2-Methyl-3-oxopropanoic acid (s)-CH3-Malonate-semialdehyde (s)-CH3-Malonic acid-semialdehyde 2-Methyl-3-oxopropanoic acid 3-oxo-2-methylpropanoate 3-Oxo-2-methylpropanoic acid Ch3-malonate-semialdehyde CH3-Malonic acid-semialdehyde Methylmalonate semialdehyde Methylmalonate-semialdehyde Methylmalonic acid semialdehyde Methylmalonic acid-semialdehyde C4H6O3 102.0886 102.031694058 2-methyl-3-oxopropanoic acid methylmalonate semialdehyde 6236-08-4 CC(C=O)C(O)=O InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7) VOKUMXABRRXHAR-UHFFFAOYSA-N Solid Cytoplasm (Predicted from LogP) mitochondria logp -0.00 ALOGPS logs 0.42 ALOGPS solubility 2.66e+02 g/l ALOGPS logp 0.053 ChemAxon pka_strongest_acidic 3.98 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 2-methyl-3-oxopropanoic acid ChemAxon average_mass 102.0886 ChemAxon mono_mass 102.031694058 ChemAxon smiles CC(C=O)C(O)=O ChemAxon formula C4H6O3 ChemAxon inchi InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7) ChemAxon inchikey VOKUMXABRRXHAR-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 22.64 ChemAxon polarizability 9.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25266 Specdb::CMs 37956 Specdb::CMs 131952 Specdb::CMs 139686 Specdb::MsMs 23069 Specdb::MsMs 23070 Specdb::MsMs 23071 Specdb::MsMs 29867 Specdb::MsMs 29868 Specdb::MsMs 29869 Specdb::MsMs 2829592 Specdb::MsMs 2829593 Specdb::MsMs 2829594 Specdb::MsMs 2852410 Specdb::MsMs 2852411 Specdb::MsMs 2852412 HMDB01172 296 C00349 16256 CH3-MALONATE-S-ALD FDB022464 Robinson, Wm. G.; Coon, Minor J. Purification and properties of b-hydroxyisobutyric dehydrogenase. Journal of Biological Chemistry (1957), 225 511-21. 4-aminobutyrate aminotransferase P22256 GABT_ECOLI gabT http://ecmdb.ca/proteins/P22256.xml (S)-b-aminoisobutyric acid + Oxoglutaric acid > 2-Methyl-3-oxopropanoate + L-Glutamate