2.02012-08-15 08:51:29 -06002015-06-03 17:21:59 -0600ECMDB21640M2MDB002034(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-dione4,5-Dihydroxy-2,3-pentanedioneC5H8O4132.1146132.042258744(4S)-4,5-dihydroxypentane-2,3-dione4,5-dihydroxy-2,3-pentanedioneCC(=O)C(=O)[C@@H](O)COInChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1UYTRITJAZOPLCZ-BYPYZUCNSA-NCytoplasmlogp-0.95logs0.31solubility2.72e+02 g/llogp-0.9pka_strongest_acidic11.69pka_strongest_basic-3iupac(4S)-4,5-dihydroxypentane-2,3-dioneaverage_mass132.1146mono_mass132.042258744smilesCC(=O)C(=O)[C@@H](O)COformulaC5H8O4inchiInChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1inchikeyUYTRITJAZOPLCZ-BYPYZUCNSA-Npolar_surface_area74.6refractivity29.28polarizability12.03rotatable_bond_count3acceptor_count4donor_count2physiological_charge0formal_charge0Cysteine and methionine metabolismec00270Metabolic pathwayseco01100Specdb::CMs1084506Specdb::MsMs25052Specdb::MsMs25053Specdb::MsMs25054Specdb::MsMs31610Specdb::MsMs31611Specdb::MsMs31612111709919346083C1183829484S-ribosylhomocysteine lyaseP45578LUXS_ECOLIluxShttp://ecmdb.ca/proteins/P45578.xmlS-Ribosyl-L-homocysteine <> (4S)-4,5-Dihydroxypentan-2,3-dione + L-HomocysteineR01291S-Ribosyl-L-homocysteine > L-Homocysteine + (4S)-4,5-Dihydroxypentan-2,3-dione