2.0 2012-05-31 14:22:54 -0600 2015-06-03 17:19:07 -0600 ECMDB20014 M2MDB000863 (R)-3-Hydroxy-3-methyl-2-oxopentanoate (r)-3-hydroxy-3-methyl-2-oxopentanoate belongs to the class of Branched Fatty Acids. These are fatty acids containing a branched chain. (inferred from compound structure) (3R)-3-hydroxy-3-methyl-2-oxopentanoate (3R)-3-hydroxy-3-methyl-2-oxopentanoic acid (R)-3-hydroxy-3-methyl-2-oxopentanoate (R)-3-hydroxy-3-methyl-2-oxopentanoic acid (R)-3-hydroxy-3-methyl-2-oxovalerate (R)-3-hydroxy-3-methyl-2-oxovaleric acid C6H10O4 146.1412 146.057908808 (3R)-3-hydroxy-3-methyl-2-oxopentanoic acid (3R)-3-hydroxy-3-methyl-2-oxopentanoic acid CC[C@@](C)(O)C(=O)C(O)=O InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1 YJVOWRAWFXRESP-ZCFIWIBFSA-N Outer membrane Inner membrane logp -0.03 ALOGPS logs -0.17 ALOGPS solubility 9.98e+01 g/l ALOGPS logp 0.77 ChemAxon pka_strongest_acidic 3.16 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (3R)-3-hydroxy-3-methyl-2-oxopentanoic acid ChemAxon average_mass 146.1412 ChemAxon mono_mass 146.057908808 ChemAxon smiles CC[C@@](C)(O)C(=O)C(O)=O ChemAxon formula C6H10O4 ChemAxon inchi InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1 ChemAxon inchikey YJVOWRAWFXRESP-ZCFIWIBFSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 33.42 ChemAxon polarizability 13.7 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Valine, leucine and isoleucine biosynthesis ec00290 Specdb::CMs 1088919 Specdb::NmrOneD 258028 Specdb::NmrOneD 258029 Specdb::NmrOneD 258030 Specdb::NmrOneD 258031 Specdb::NmrOneD 258032 Specdb::NmrOneD 258033 Specdb::NmrOneD 258034 Specdb::NmrOneD 258035 Specdb::NmrOneD 258036 Specdb::NmrOneD 258037 Specdb::NmrOneD 258038 Specdb::NmrOneD 258039 Specdb::NmrOneD 258040 Specdb::NmrOneD 258041 Specdb::NmrOneD 258042 Specdb::NmrOneD 258043 Specdb::NmrOneD 258044 Specdb::NmrOneD 258045 Specdb::NmrOneD 258046 Specdb::NmrOneD 258047 Specdb::MsMs 26702 Specdb::MsMs 26703 Specdb::MsMs 26704 Specdb::MsMs 33260 Specdb::MsMs 33261 Specdb::MsMs 33262 11954026 10128321 C14463 49257 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 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A Ketol-acid reductoisomerase P05793 ILVC_ECOLI ilvC http://ecmdb.ca/proteins/P05793.xml (R) 2,3-Dihydroxy-3-methylvalerate + NADP <> (R)-3-Hydroxy-3-methyl-2-oxopentanoate + NADPH + Hydrogen ion R05068 2-Aceto-2-hydroxy-butyrate <> (R)-3-Hydroxy-3-methyl-2-oxopentanoate R05069