2.02012-07-30 14:55:27 -06002015-06-03 17:21:13 -0600ECMDB21358M2MDB001755SulfoacetateSulfoacetate is a member of the chemical class known as Sulfonic Acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R = H). Sulfoacetate is invovled in Taurine and hypotaurine metabolism. (KEGG)2-Sulfoacetate2-Sulfoacetic acid2-Sulphoacetate2-Sulphoacetic acidSulfoacetateSulfoacetic acidSulfoethanoateSulfoethanoic acidSulphoacetateSulphoacetic acidSulphoethanoateSulphoethanoic acidC2H4O5S140.115139.9779439282-sulfoacetic acidsulfoacetic acid123-43-3OC(=O)CS(O)(=O)=OInChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)AGGIJOLULBJGTQ-UHFFFAOYSA-NSolidCytosolExtra-organismPeriplasmlogp-1.86logs-0.63solubility3.30e+01 g/lmelting_point85 oClogp-1pka_strongest_acidic-1.8iupac2-sulfoacetic acidaverage_mass140.115mono_mass139.977943928smilesOC(=O)CS(O)(=O)=OformulaC2H4O5SinchiInChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)inchikeyAGGIJOLULBJGTQ-UHFFFAOYSA-Npolar_surface_area91.67refractivity22.99polarizability10.32rotatable_bond_count2acceptor_count5donor_count2physiological_charge-2formal_charge0Specdb::CMs104759Specdb::CMs116773Specdb::CMs987097Specdb::CMs987098Specdb::CMs987099Specdb::CMs987100Specdb::NmrOneD254868Specdb::NmrOneD254869Specdb::NmrOneD254870Specdb::NmrOneD254871Specdb::NmrOneD254872Specdb::NmrOneD254873Specdb::NmrOneD254874Specdb::NmrOneD254875Specdb::NmrOneD254876Specdb::NmrOneD254877Specdb::NmrOneD254878Specdb::NmrOneD254879Specdb::NmrOneD254880Specdb::NmrOneD254881Specdb::NmrOneD254882Specdb::NmrOneD254883Specdb::NmrOneD254884Specdb::NmrOneD254885Specdb::NmrOneD254886Specdb::NmrOneD254887Specdb::MsMs24098Specdb::MsMs24099Specdb::MsMs24100Specdb::MsMs30896Specdb::MsMs30897Specdb::MsMs308983125728997C1417950519CPD-10246SATAlkanesulfonate monooxygenaseP80645SSUD_ECOLIssuDhttp://ecmdb.ca/proteins/P80645.xmlPutative aliphatic sulfonates transport permease protein ssuCP75851SSUC_ECOLIssuChttp://ecmdb.ca/proteins/P75851.xmlPutative aliphatic sulfonates-binding proteinP75853SSUA_ECOLIssuAhttp://ecmdb.ca/proteins/P75853.xmlAliphatic sulfonates import ATP-binding protein SsuBP0AAI1SSUB_ECOLIssuBhttp://ecmdb.ca/proteins/P0AAI1.xmlPutative aliphatic sulfonates transport permease protein ssuCP75851SSUC_ECOLIssuChttp://ecmdb.ca/proteins/P75851.xmlPutative aliphatic sulfonates-binding proteinP75853SSUA_ECOLIssuAhttp://ecmdb.ca/proteins/P75853.xmlOuter membrane protein NP77747OMPN_ECOLIompNhttp://ecmdb.ca/proteins/P77747.xmlOuter membrane pore protein EP02932PHOE_ECOLIphoEhttp://ecmdb.ca/proteins/P02932.xmlOuter membrane protein FP02931OMPF_ECOLIompFhttp://ecmdb.ca/proteins/P02931.xmlAliphatic sulfonates import ATP-binding protein SsuBP0AAI1SSUB_ECOLIssuBhttp://ecmdb.ca/proteins/P0AAI1.xmlOuter membrane protein CP06996OMPC_ECOLIompChttp://ecmdb.ca/proteins/P06996.xmlAdenosine triphosphate + Water + Sulfoacetate > ADP + Hydrogen ion + Phosphate + SulfoacetateAdenosine triphosphate + Water + Sulfoacetate > ADP + Hydrogen ion + Phosphate + SulfoacetateFMNH + Oxygen + Sulfoacetate > Flavin Mononucleotide + Glyoxylic acid + Hydrogen ion + Water + Sulfite