2.0 2012-05-31 13:57:02 -0600 2015-09-13 12:56:12 -0600 ECMDB02757 M2MDB000464 Cysteic acid Cysteic acid is an amino acid formed in the oxidation of cysteine; it is a precursor of taurine. (2R)-2-amino-3-sulfopropanoate (2R)-2-amino-3-sulfopropanoic acid (2R)-2-amino-3-sulphopropanoate (2R)-2-amino-3-sulphopropanoic acid 2-Amino-3-sulfopropanoate 2-Amino-3-sulfopropanoic acid 2-Amino-3-sulfopropionate 2-Amino-3-sulfopropionic acid 2-Amino-3-sulphopropanoate 2-Amino-3-sulphopropanoic acid 2-Amino-3-sulphopropionate 2-Amino-3-sulphopropionic acid 3-Sulfo-L-alanine 3-Sulfoalanine 3-Sulpho-L-alanine 3-Sulphoalanine b-Sulfoalanine b-Sulphoalanine Beta-Sulfoalanine Beta-Sulphoalanine Cepteate Cepteic acid Cipteate Cipteic acid Cysteate Cysteic acid Cysteinate Cysteinesulfonate Cysteinesulfonic acid Cysteinesulphonate Cysteinesulphonic acid Cysteinic acid Cysterate Cysteric acid L-Cysteate L-Cysteic acid β-Sulfoalanine β-Sulphoalanine C3H7NO5S 169.156 169.004493029 2-amino-3-sulfopropanoic acid cysteic acid 498-40-8 NC(CS(O)(=O)=O)C(O)=O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Solid Cytoplasm Periplasm logp -2.39 ALOGPS logs -0.36 ALOGPS solubility 7.36e+01 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic -1.7 ChemAxon pka_strongest_basic 8.79 ChemAxon iupac 2-amino-3-sulfopropanoic acid ChemAxon average_mass 169.156 ChemAxon mono_mass 169.004493029 ChemAxon smiles NC(CS(O)(=O)=O)C(O)=O ChemAxon formula C3H7NO5S ChemAxon inchi InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) ChemAxon inchikey XVOYSCVBGLVSOL-UHFFFAOYSA-N ChemAxon polar_surface_area 117.69 ChemAxon refractivity 30.43 ChemAxon polarizability 13.56 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Cysteine and methionine metabolism ec00270 Taurine and hypotaurine metabolism ec00430 Collection of Reactions without pathways PW001891 Metabolic Specdb::CMs 2433 Specdb::CMs 38474 Specdb::CMs 130695 Specdb::CMs 138429 Specdb::NmrOneD 128938 Specdb::NmrOneD 128939 Specdb::NmrOneD 128940 Specdb::NmrOneD 128941 Specdb::NmrOneD 128942 Specdb::NmrOneD 128943 Specdb::NmrOneD 128944 Specdb::NmrOneD 128945 Specdb::NmrOneD 128946 Specdb::NmrOneD 128947 Specdb::NmrOneD 128948 Specdb::NmrOneD 128949 Specdb::NmrOneD 128950 Specdb::NmrOneD 128951 Specdb::NmrOneD 128952 Specdb::NmrOneD 128953 Specdb::NmrOneD 128954 Specdb::NmrOneD 128955 Specdb::NmrOneD 128956 Specdb::NmrOneD 128957 Specdb::MsMs 27665 Specdb::MsMs 27666 Specdb::MsMs 27667 Specdb::MsMs 34223 Specdb::MsMs 34224 Specdb::MsMs 34225 Specdb::MsMs 439504 Specdb::MsMs 439507 Specdb::MsMs 449564 Specdb::MsMs 2227320 Specdb::MsMs 2227414 Specdb::MsMs 2229721 Specdb::MsMs 2229744 Specdb::MsMs 2232037 Specdb::MsMs 2232174 Specdb::MsMs 2234354 Specdb::MsMs 2234571 Specdb::MsMs 2238310 Specdb::MsMs 2239290 Specdb::MsMs 2244603 Specdb::MsMs 2245528 Specdb::MsMs 2246718 Specdb::MsMs 2247554 Specdb::MsMs 2248715 Specdb::MsMs 2249682 HMDB02757 25701 23942 C00506 17285 L-CYSTEATE Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 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 Jasin HE: Oxidative modification of inflammatory synovial fluid immunoglobulin G. Inflammation. 1993 Apr;17(2):167-81. 8387962 Sarwar G, Botting HG, Peace RW: Complete amino acid analysis in hydrolysates of foods and feces by liquid chromatography of precolumn phenylisothiocyanate derivatives. J Assoc Off Anal Chem. 1988 Nov-Dec;71(6):1172-5. 3240976 Paroni R, De Vecchi E, Fermo I, Arcelloni C, Diomede L, Magni F, Bonini PA: Total urinary hydroxyproline determined with rapid and simple high-performance liquid chromatography. Clin Chem. 1992 Mar;38(3):407-11. 1547560 Zhao, Chong-tao; Wang, Qing-ping; Lin, Wan-zhen; Chen, Ping. Synthesis of L-cysteic acid by indirect electrooxidation. Jingxi Huagong (2003), 20(4), 237-238, 253. http://hmdb.ca/system/metabolites/msds/000/002/340/original/HMDB02757.pdf?1358462717 Aspartate aminotransferase P00509 AAT_ECOLI aspC http://ecmdb.ca/proteins/P00509.xml Glutamate decarboxylase alpha P69908 DCEA_ECOLI gadA http://ecmdb.ca/proteins/P69908.xml Glutamate decarboxylase beta P69910 DCEB_ECOLI gadB http://ecmdb.ca/proteins/P69910.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 Cysteic acid <> Taurine + Carbon dioxide R01682 Cysteic acid + alpha-Ketoglutarate <> 3-Sulfopyruvic acid + L-Glutamate R02433 Cysteic acid + Cysteic acid > Taurine + Carbon dioxide PW_R002556 Cysteic acid + Oxoglutaric acid <> L-Glutamate + 3-Sulfopyruvic acid PW_R005927