2.0 2015-06-30 15:22:56 -0600 2015-09-14 16:46:25 -0600 ECMDB23908 M2MDB006010 6-Deoxy-6-sulfo-D-fructose 6-Deoxy-6-sulfo-D-fructose is an intermediate in sulfoglycolysis pathway in E.coli. It is a product for the enzyme sulfoquinovose isomerase which catalyzes the reaction sulfoquinovose -> 6-deoxy-6-sulfo-D-fructose. It is also the substrate for the enzyme 6-deoxy-6-sulfofructose kinase which catalyzes the reaction 6-deoxy-6-sulfo-D-fructose + ATP -> 6-deoxy-6-sulfo-D-fructose 1-phosphate + ADP + H+ (BioCyc compound: CPD-16501). 6-Deoxy-6-sulfO-D-fructofuranose 6-Deoxy-6-sulfofructose 6-Deoxy-6-sulphO-D-fructofuranose 6-Deoxy-6-sulphO-D-fructose 6-Deoxy-6-sulphofructose 6-Sulfofructose 6-Sulphofructose C6H12O8S 244.21 244.02528852 [(2S,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanesulfonic acid [(2S,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanesulfonic acid OCC1(O)O[C@H](CS(O)(=O)=O)[C@@H](O)[C@@H]1O InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6?/m1/s1 QTQNAYQDKCBJTC-VRPWFDPXSA-N logp -2.15 ALOGPS logs 0.03 ALOGPS solubility 2.64e+02 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac [(2S,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanesulfonic acid ChemAxon average_mass 244.21 ChemAxon mono_mass 244.02528852 ChemAxon smiles OCC1(O)O[C@H](CS(O)(=O)=O)[C@@H](O)[C@@H]1O ChemAxon formula C6H12O8S ChemAxon inchi InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6?/m1/s1 ChemAxon inchikey QTQNAYQDKCBJTC-VRPWFDPXSA-N ChemAxon polar_surface_area 144.52 ChemAxon refractivity 44.75 ChemAxon polarizability 20.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1083494 Specdb::MsMs 28244 Specdb::MsMs 28245 Specdb::MsMs 28246 Specdb::MsMs 34802 Specdb::MsMs 34803 Specdb::MsMs 34804 C20830 Sulfoquinovose isomerase P32140 SQUS_ECOLI yihS http://ecmdb.ca/proteins/P32140.xml Sulfoquinovose <> 6-Deoxy-6-sulfo-D-fructose R10765