2.0 2012-10-10 12:15:18 -0600 2015-06-03 17:25:53 -0600 ECMDB23082 M2MDB003472 Iminobutyrate Iminobutyrate is a short-lived, unstable intermediate that appears in the degradation or dehydration of threonine via L-threonine dehydratase. It is a tautomer of aminocrotonate, which tautomerizes to its imine form iminobutyrate. Iminobutyric acid C6H11NO2 129.157 129.078978601 ethyl 3-aminobut-2-enoate ethyl 3-aminobut-2-enoate CCOC(=O)C=C(C)N InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3 YPMPTULBFPFSEQ-UHFFFAOYSA-N logp 0.67 ALOGPS logs -0.30 ALOGPS solubility 6.46e+01 g/l ALOGPS logp 0.11 ChemAxon pka_strongest_basic 4.41 ChemAxon iupac ethyl 3-aminobut-2-enoate ChemAxon average_mass 129.157 ChemAxon mono_mass 129.078978601 ChemAxon smiles CCOC(=O)C=C(C)N ChemAxon formula C6H11NO2 ChemAxon inchi InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3 ChemAxon inchikey YPMPTULBFPFSEQ-UHFFFAOYSA-N ChemAxon polar_surface_area 52.32 ChemAxon refractivity 36.26 ChemAxon polarizability 13.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1089650 Specdb::MsMs 23402 Specdb::MsMs 23403 Specdb::MsMs 23404 Specdb::MsMs 30200 Specdb::MsMs 30201 Specdb::MsMs 30202 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 UPF0076 protein yjgF P0AF93 YJGF_ECOLI yjgF http://ecmdb.ca/proteins/P0AF93.xml Iminobutyrate + Water > 2-Ketobutyric acid + Ammonia