2.0 2012-05-31 14:27:19 -0600 2015-06-03 17:19:18 -0600 ECMDB20097 M2MDB000945 5-(2-Hydroxyethyl)-4-methylthiazole 5-(2-hydroxyethyl)-4-methylthiazole is a member of the chemical class known as Thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms. (2-hydroxyethyl)thiazole 2-(4-Methyl-1,3-thiazol-5-yl)ethanol 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL 2-(4-Methylthiazol-5-yl)ethanol 2-(4-Methylthiazole-5-yl)ethanol 4-Methyl-5-(.beta.-hydroxyethyl)thiazole 4-Methyl-5-(2'-hydroxyethyl)-thiazole 4-Methyl-5-(2-hydroxyethyl)-thiazole 4-Methyl-5-(2-hydroxyethyl)thiazole 4-Methyl-5-(b-hydroxyethyl)thiazole 4-Methyl-5-(beta-hydroxyethyl)thiazole 4-Methyl-5-(β-hydroxyethyl)thiazole 4-Methyl-5-hydroxethylthiazole 4-Methyl-5-hydroxyethylthiazole 4-Methyl-5-thiazoleethanol 4-Methyl-5-thiazolethanol 4-Methyl-5-thiazolylethanol 5-(2-hydroxyethyl)-4-methylthiazole 5-(2-Hydroxyethyl)-4-methylthiazole (sulfurol) 5-(2-Hydroxyethyl)-4-methylthiazole (sulphurol) 5-(b-Hydroxyethyl)-4-methylthiazole 5-(beta-Hydroxyethyl)-4-methylthiazole 5-(Hydroxyethyl)-4-methylthiazole 5-(β-Hydroxyethyl)-4-methylthiazole Hemineurine HET MHT MHT (van) NChemBio.2007.13-comp11 Sulfurol Sulphurol Thiamine breakdown product 4-methyl-5-thiazoleethanol- from Thiamine thiazole Thiazole, 5-(2-hydroxyethyl)-4-methyl THZ TZE C6H9NOS 143.207 143.040484605 2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol 4-methyl-5-thiazoleethanol 137-00-8 CC1=C(CCO)SC=N1 InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 BKAWJIRCKVUVED-UHFFFAOYSA-N Solid Cytosol logp 0.67 ALOGPS logs -1.80 ALOGPS solubility 2.26e+00 g/l ALOGPS melting_point < 25 oC logp 0.42 ChemAxon pka_strongest_acidic 15.62 ChemAxon pka_strongest_basic 3.12 ChemAxon iupac 2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol ChemAxon average_mass 143.207 ChemAxon mono_mass 143.040484605 ChemAxon smiles CC1=C(CCO)SC=N1 ChemAxon formula C6H9NOS ChemAxon inchi InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 ChemAxon inchikey BKAWJIRCKVUVED-UHFFFAOYSA-N ChemAxon polar_surface_area 33.12 ChemAxon refractivity 37.32 ChemAxon polarizability 14.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Thiamine metabolism ec00730 Specdb::CMs 1069 Specdb::CMs 3452 Specdb::CMs 28934 Specdb::CMs 31627 Specdb::CMs 32183 Specdb::CMs 43039 Specdb::CMs 136145 Specdb::CMs 143879 Specdb::NmrOneD 4455 Specdb::NmrOneD 4576 Specdb::NmrOneD 4951 Specdb::NmrOneD 4952 Specdb::NmrOneD 117258 Specdb::NmrOneD 117259 Specdb::NmrOneD 117260 Specdb::NmrOneD 117261 Specdb::NmrOneD 117262 Specdb::NmrOneD 117263 Specdb::NmrOneD 117264 Specdb::NmrOneD 117265 Specdb::NmrOneD 117266 Specdb::NmrOneD 117267 Specdb::NmrOneD 117268 Specdb::NmrOneD 117269 Specdb::NmrOneD 117270 Specdb::NmrOneD 117271 Specdb::NmrOneD 117272 Specdb::NmrOneD 117273 Specdb::NmrOneD 117274 Specdb::NmrOneD 117275 Specdb::NmrOneD 117276 Specdb::NmrOneD 117277 Specdb::MsMs 29102 Specdb::MsMs 29103 Specdb::MsMs 29104 Specdb::MsMs 35660 Specdb::MsMs 35661 Specdb::MsMs 35662 Specdb::MsMs 446465 Specdb::MsMs 446466 Specdb::MsMs 446467 Specdb::MsMs 446468 Specdb::MsMs 446469 Specdb::MsMs 448123 Specdb::MsMs 448124 Specdb::MsMs 2237966 Specdb::MsMs 2239623 Specdb::MsMs 2280334 Specdb::MsMs 2280335 Specdb::MsMs 2280336 Specdb::MsMs 3084457 Specdb::MsMs 3084458 Specdb::MsMs 3084459 1136 1104 C04294 17957 THZ TZE 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 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 Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. 18331064 Hydroxyethylthiazole kinase P76423 THIM_ECOLI thiM http://ecmdb.ca/proteins/P76423.xml 5-(2-Hydroxyethyl)-4-methylthiazole + Adenosine triphosphate + 4-methyl-5-(2-hydroxyethyl)thiazole <> 4-Methyl-5-(2-phosphoethyl)-thiazole + ADP + Hydrogen ion R04448 THIAZOLSYN3-RXN Adenosine triphosphate + 5-(2-Hydroxyethyl)-4-methylthiazole <> ADP + 4-Methyl-5-(2-phosphoethyl)-thiazole R04448 Adenosine triphosphate + 5-(2-Hydroxyethyl)-4-methylthiazole > Hydrogen ion + ADP + 4-Methyl-5-(2-phosphoethyl)-thiazole R04448 THIAZOLSYN3-RXN Adenosine triphosphate + 5-(2-Hydroxyethyl)-4-methylthiazole > ADP + 4-methyl-5-(2-phosphono-oxyethyl)thiazole