2.0 2012-05-31 14:07:29 -0600 2015-06-03 15:54:50 -0600 ECMDB04195 M2MDB000654 5-L-Glutamyl-taurine 5-L-Glutamyl-taurine is an intermediate in taurine and hypotaurine metabolism. 5-L-Glutamyl-taurine is produced from Taurine via the enzyme gamma-glutamyltranspeptidase (EC 2.3.2.2). 5-Glutamyl-taurine C7H14N2O6S 254.261 254.05725688 (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1 WGXUDTHMEITUBO-YFKPBYRVSA-N Solid Cytoplasm Periplasm logp -2.26 ALOGPS logs -1.41 ALOGPS solubility 9.99e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid ChemAxon average_mass 254.261 ChemAxon mono_mass 254.05725688 ChemAxon smiles N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O ChemAxon formula C7H14N2O6S ChemAxon inchi InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1 ChemAxon inchikey WGXUDTHMEITUBO-YFKPBYRVSA-N ChemAxon polar_surface_area 146.79 ChemAxon refractivity 52.69 ChemAxon polarizability 23.24 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Taurine and hypotaurine metabolism ec00430 Specdb::CMs 10677 Specdb::CMs 38729 Specdb::CMs 135206 Specdb::CMs 142940 Specdb::NmrOneD 41862 Specdb::NmrOneD 41863 Specdb::NmrOneD 41864 Specdb::NmrOneD 41865 Specdb::NmrOneD 41866 Specdb::NmrOneD 41867 Specdb::NmrOneD 41868 Specdb::NmrOneD 41869 Specdb::NmrOneD 41870 Specdb::NmrOneD 41871 Specdb::NmrOneD 41872 Specdb::NmrOneD 41873 Specdb::NmrOneD 41874 Specdb::NmrOneD 41875 Specdb::NmrOneD 41876 Specdb::NmrOneD 41877 Specdb::NmrOneD 41878 Specdb::NmrOneD 41879 Specdb::NmrOneD 41880 Specdb::NmrOneD 41881 Specdb::MsMs 29561 Specdb::MsMs 29562 Specdb::MsMs 29563 Specdb::MsMs 36119 Specdb::MsMs 36120 Specdb::MsMs 36121 Specdb::MsMs 2831719 Specdb::MsMs 2831720 Specdb::MsMs 2831721 Specdb::MsMs 2847773 Specdb::MsMs 2847774 Specdb::MsMs 2847775 HMDB04195 68759 62003 C05844 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Gamma-glutamyltranspeptidase P18956 GGT_ECOLI ggt http://ecmdb.ca/proteins/P18956.xml Putative aliphatic sulfonates transport permease protein ssuC P75851 SSUC_ECOLI ssuC http://ecmdb.ca/proteins/P75851.xml Putative aliphatic sulfonates transport permease protein ssuC P75851 SSUC_ECOLI ssuC http://ecmdb.ca/proteins/P75851.xml (5-L-Glutamyl)-peptide + Taurine <> Peptide + 5-L-Glutamyl-taurine R01687 Taurine + (5-L-Glutamyl)-peptide > 5-L-Glutamyl-taurine + Peptide PW_R002557