2.0 2012-08-15 08:51:29 -0600 2015-06-03 17:21:59 -0600 ECMDB21640 M2MDB002034 (4S)-4,5-Dihydroxypentan-2,3-dione (4S)-4,5-dihydroxypentan-2,3-dione is a member of the chemical class known as Beta Ketoaldehydes. These are organic compounds containing an aldehyde substituted with a keto group on the second carbon atom. (4S)-4,5-dihydroxypentane-2,3-dione (S)-4,5-dihydroxypentane-2,3-dione 4,5-Dihydroxy-2,3-pentanedione C5H8O4 132.1146 132.042258744 (4S)-4,5-dihydroxypentane-2,3-dione 4,5-dihydroxy-2,3-pentanedione CC(=O)C(=O)[C@@H](O)CO InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1 UYTRITJAZOPLCZ-BYPYZUCNSA-N Cytoplasm logp -0.95 ALOGPS logs 0.31 ALOGPS solubility 2.72e+02 g/l ALOGPS logp -0.9 ChemAxon pka_strongest_acidic 11.69 ChemAxon pka_strongest_basic -3 ChemAxon iupac (4S)-4,5-dihydroxypentane-2,3-dione ChemAxon average_mass 132.1146 ChemAxon mono_mass 132.042258744 ChemAxon smiles CC(=O)C(=O)[C@@H](O)CO ChemAxon formula C5H8O4 ChemAxon inchi InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1 ChemAxon inchikey UYTRITJAZOPLCZ-BYPYZUCNSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 29.28 ChemAxon polarizability 12.03 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Cysteine and methionine metabolism ec00270 Metabolic pathways eco01100 Specdb::CMs 1084506 Specdb::MsMs 25052 Specdb::MsMs 25053 Specdb::MsMs 25054 Specdb::MsMs 31610 Specdb::MsMs 31611 Specdb::MsMs 31612 11170991 9346083 C11838 29484 S-ribosylhomocysteine lyase P45578 LUXS_ECOLI luxS http://ecmdb.ca/proteins/P45578.xml S-Ribosyl-L-homocysteine <> (4S)-4,5-Dihydroxypentan-2,3-dione + L-Homocysteine R01291 S-Ribosyl-L-homocysteine > L-Homocysteine + (4S)-4,5-Dihydroxypentan-2,3-dione