1.0 2011-09-21 00:28:14 UTC 2015-07-21 06:57:38 UTC FDB023332 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). [HMDB] 5-Glutamyl-taurine Glutaurine C7H14N2O6S 254.261 254.05725688 (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid 56488-60-9 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 belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Glutamine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alkanesulfonic acids Amino acids Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organopnictogen compounds Organosulfonic acids Secondary carboxylic acid amides Sulfonyls Aliphatic acyclic compound Alkanesulfonic acid Alpha-amino acid Amine Amino acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfonyl dipeptide Solid 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 SMP00021 map00430 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 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Cysteine sulfinic acid decarboxylase Q9Y600 CSAD Gamma-glutamyltransferase 5 P36269 GGT5 Gamma-glutamyltransferase 6 Q6P531 GGT6 Gamma-glutamyltransferase 7 Q9UJ14 GGT7 Gamma-glutamyltranspeptidase 1 P19440 GGT1