2.02015-06-19 09:30:48 -06002015-08-05 16:22:05 -0600ECMDB23905M2MDB0058662-Hydroxy-3-oxopropane-1-sulfonateAn organosulfonate oxoanion that is the conjugate base of 3-sulfolactaldehyde, obtained by deprotonation of the sulfo group; major species at pH 7.3.2-Hydroxy-3-oxopropane-1-sulfonic acid2-Hydroxy-3-oxopropane-1-sulphonate2-Hydroxy-3-oxopropane-1-sulphonic acid3-Sulfolactaldehyde3-SulpholactaldehydeC3H6O5S154.14153.9935944672-hydroxy-3-oxopropane-1-sulfonic acid2-hydroxy-3-oxopropane-1-sulfonic acidOC(CS(O)(=O)=O)C=OInChI=1S/C3H6O5S/c4-1-3(5)2-9(6,7)8/h1,3,5H,2H2,(H,6,7,8)GVEIZEMJOBQMCQ-UHFFFAOYSA-Nlogp-1.90logs-0.27solubility8.24e+01 g/llogp-2pka_strongest_acidic-1.5pka_strongest_basic-3.8iupac2-hydroxy-3-oxopropane-1-sulfonic acidaverage_mass154.14mono_mass153.993594467smilesOC(CS(O)(=O)=O)C=OformulaC3H6O5SinchiInChI=1S/C3H6O5S/c4-1-3(5)2-9(6,7)8/h1,3,5H,2H2,(H,6,7,8)inchikeyGVEIZEMJOBQMCQ-UHFFFAOYSA-Npolar_surface_area91.67refractivity27.85polarizability12.19rotatable_bond_count3acceptor_count5donor_count2physiological_charge-1formal_charge0Specdb::CMs1083536Specdb::NmrOneD332578Specdb::NmrOneD332579Specdb::NmrOneD332580Specdb::NmrOneD332581Specdb::NmrOneD332582Specdb::NmrOneD332583Specdb::NmrOneD332584Specdb::NmrOneD332585Specdb::NmrOneD332586Specdb::NmrOneD332587Specdb::NmrOneD332588Specdb::NmrOneD332589Specdb::NmrOneD332590Specdb::NmrOneD332591Specdb::NmrOneD332592Specdb::NmrOneD332593Specdb::NmrOneD332594Specdb::NmrOneD332595Specdb::NmrOneD332596Specdb::NmrOneD332597Specdb::MsMs26450Specdb::MsMs26451Specdb::MsMs26452Specdb::MsMs33008Specdb::MsMs33009Specdb::MsMs33010C20798Uncharacterized oxidoreductase yihUP0A9V8YIHU_ECOLIyihUhttp://ecmdb.ca/proteins/P0A9V8.xmlSulfofructosephosphate aldolaseP32141SQUT_ECOLIyihThttp://ecmdb.ca/proteins/P32141.xml6-Deoxy-6-sulfo-D-fructose 1-phosphate <> Dihydroxyacetone phosphate + 2-Hydroxy-3-oxopropane-1-sulfonateR10760