2.02012-05-31 09:55:24 -06002015-09-13 12:56:05 -0600ECMDB00023M2MDB0000053-Hydroxyisobutyric acid3-Hydroxyisobutyric acid is a member of the chemical class known as Beta Hydroxy Acids and Derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. 3-Hydroxyisobutyric acid (or 3-hydroxy-2-methylpropanoic acid) is an intermediate in the metabolism of valine. (WikiPedia)(S)-3-Hydroxyisobutyrate(S)-3-Hydroxyisobutyric acid(S)-b-Hydroxyisobutyrate(S)-b-Hydroxyisobutyric acid2-Methyl-L-(+)-Hydracrylate2-Methyl-L-(+)-Hydracrylic acid3-Hydroxy(iso)butyrate3-hydroxy(iso)butyric acid3-Hydroxy-2-methyl-(S)-Propanoate3-Hydroxy-2-methyl-(S)-Propanoic acid3-Hydroxy-2-methylpropanoate3-Hydroxy-2-methylpropanoic acid3-Hydroxy-isobutyrate3-Hydroxy-isobutyric acid3-Hydroxyisobutyrate3-Hydroxyisobutyric acid3-OH-iso-but3-OH-isobutyrate3-OH-Isobutyric acidL-(+)-b-HydroxyisobutyrateL-(+)-b-Hydroxyisobutyric acidL-(+)-beta-HydroxyisobutyrateL-(+)-beta-Hydroxyisobutyric acidL-(+)-β-HydroxyisobutyrateL-(+)-β-Hydroxyisobutyric acidC4H8O3104.1045104.0473441223-hydroxy-2-methylpropanoic acid3-hydroxyisobutyric acid2068-83-9CC(CO)C(O)=OInChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)DBXBTMSZEOQQDU-UHFFFAOYSA-NSolidCytoplasmPeriplasmlogp-0.47logs0.74solubility5.71e+02 g/llogp-0.26pka_strongest_acidic4.37pka_strongest_basic-2.7iupac3-hydroxy-2-methylpropanoic acidaverage_mass104.1045mono_mass104.047344122smilesCC(CO)C(O)=OformulaC4H8O3inchiInChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)inchikeyDBXBTMSZEOQQDU-UHFFFAOYSA-Npolar_surface_area57.53refractivity23.62polarizability9.99rotatable_bond_count2acceptor_count3donor_count2physiological_charge-1formal_charge0Specdb::CMs51603Specdb::CMs57957Specdb::MsMs22952Specdb::MsMs22953Specdb::MsMs22954Specdb::MsMs22955Specdb::MsMs22956Specdb::MsMs22957HMDB0002385C01188180643-HYDROXY-ISOBUTYRATEKeseler, 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-D590.21097882Kanehisa, 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-D114.22080510van 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 370:17-25.17765195http://hmdb.ca/system/metabolites/msds/000/000/016/original/HMDB00023.pdf?13584628722-hydroxy-3-oxopropionate reductaseP0ABQ2GARR_ECOLIgarRhttp://ecmdb.ca/proteins/P0ABQ2.xmlNADP-dependent L-serine/L-allo-threonine dehydrogenase ydfGP39831YDFG_ECOLIydfGhttp://ecmdb.ca/proteins/P39831.xmlUncharacterized oxidoreductase ygbJQ46888ygbJhttp://ecmdb.ca/proteins/Q46888.xml3-Hydroxyisobutyric acid + NAD <> 2-Aminomalonate semialdehyde + NADH