2.0 2012-08-09 09:25:32 -0600 2015-06-03 17:21:48 -0600 ECMDB21573 M2MDB001967 Thioglycolate Thioglycolic acid (TGA) is the organic compound HSCH2CO2H. It contains both a thiol (mercaptan) and a carboxylic acid. It is a clear liquid with a strong unpleasant odor. It is readily oxidized by air to the corresponding disulfide [SCH2CO2H]2. It is use during the conversion of chloro-alanine to S-carboxymethyl-L-cysteine. Mercaptoacetate Mercaptoacetic acid Mercaptoethanoate Mercaptoethanoic acid Sulfanylacetate Sulfanylacetic acid Sulphanylacetate Sulphanylacetic acid Thioglycolate Thioglycolic acid C2H4O2S 92.117 91.993200062 2-sulfanylacetic acid thioglycolic acid 513-66-6 OC(=O)CS InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4) CWERGRDVMFNCDR-UHFFFAOYSA-N Liquid Membrane logp 0.09 ALOGPS logs -0.61 ALOGPS solubility 2.26e+01 g/l ALOGPS melting_point -16 °C, 257 K, 3 °F logp 0.0032 ChemAxon pka_strongest_acidic 4.2 ChemAxon pka_strongest_basic -9.9 ChemAxon iupac 2-sulfanylacetic acid ChemAxon average_mass 92.117 ChemAxon mono_mass 91.993200062 ChemAxon smiles OC(=O)CS ChemAxon formula C2H4O2S ChemAxon inchi InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4) ChemAxon inchikey CWERGRDVMFNCDR-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 20.47 ChemAxon polarizability 8.17 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 108555 Specdb::CMs 121148 Specdb::CMs 933603 Specdb::CMs 933604 Specdb::CMs 933605 Specdb::CMs 933606 Specdb::NmrOneD 233258 Specdb::NmrOneD 233259 Specdb::NmrOneD 233260 Specdb::NmrOneD 233261 Specdb::NmrOneD 233262 Specdb::NmrOneD 233263 Specdb::NmrOneD 233264 Specdb::NmrOneD 233265 Specdb::NmrOneD 233266 Specdb::NmrOneD 233267 Specdb::NmrOneD 233268 Specdb::NmrOneD 233269 Specdb::NmrOneD 233270 Specdb::NmrOneD 233271 Specdb::NmrOneD 233272 Specdb::NmrOneD 233273 Specdb::NmrOneD 233274 Specdb::NmrOneD 233275 Specdb::NmrOneD 233276 Specdb::NmrOneD 233277 Specdb::MsMs 29453 Specdb::MsMs 29454 Specdb::MsMs 29455 Specdb::MsMs 36011 Specdb::MsMs 36012 Specdb::MsMs 36013 Specdb::MsMs 3443590 Specdb::MsMs 3443591 Specdb::MsMs 3443592 Specdb::MsMs 3443593 Specdb::MsMs 3443594 Specdb::MsMs 3443595 16197111 17325649 C02086 30066 MCR thioglycolate van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 Cysteine synthase A P0ABK5 CYSK_ECOLI cysK http://ecmdb.ca/proteins/P0ABK5.xml 3-chloro-D-alanine + Thioglycolate > S-Carboxymethyl-L-cysteine + Chloride