2.0 2012-05-31 14:32:42 -0600 2015-09-17 16:24:22 -0600 ECMDB20198 M2MDB001044 Trans-4-Carboxymethylenebut-2-en-4-olide Trans-4-carboxymethylenebut-2-en-4-olide is a member of the chemical class known as Furans. These are compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms. (2Z)-(5-oxofuran-2(5H)-ylidene)acetate (2Z)-(5-oxofuran-2(5H)-ylidene)acetic acid (Z)-5-Oxodelta(2(5H),a)-furanacetate (Z)-5-Oxodelta(2(5H),a)-furanacetic acid (Z)-5-Oxodelta(2(5H),alpha)-furanacetate (Z)-5-Oxodelta(2(5H),alpha)-furanacetic acid (Z)-5-Oxodelta(2(5H),α)-furanacetate (Z)-5-Oxodelta(2(5H),α)-furanacetic acid 4-Carboxymethylenebut-2-en-4-olide 5-oxo-(Z)-delta(2(5H),a)-Furanacetate 5-oxo-(Z)-delta(2(5H),a)-Furanacetic acid 5-Oxo-(Z)-delta(2(5H),alpha)-Furanacetate 5-Oxo-(Z)-delta(2(5H),alpha)-Furanacetic acid 5-oxo-(Z)-δ(2(5H),a)-Furanacetate 5-oxo-(Z)-δ(2(5H),a)-Furanacetic acid 5-oxo-(Z)-δ(2(5H),α)-Furanacetate 5-oxo-(Z)-δ(2(5H),α)-Furanacetic acid Cis-4-Carboxymethylenebut-2-en-4-olide Dienelactone C6H4O4 140.0936 140.010958616 2-[(2Z)-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid [(2Z)-5-oxofuran-2-ylidene]acetic acid 22752-92-7 OC(=O)C=C1OC(=O)C=C1 InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8) AYFXPGXAZMFWNH-UHFFFAOYSA-N Outer membrane Inner membrane logp 0.72 ALOGPS logs -0.78 ALOGPS solubility 2.31e+01 g/l ALOGPS logp 0.18 ChemAxon pka_strongest_acidic 3.06 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 2-[(2Z)-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid ChemAxon average_mass 140.0936 ChemAxon mono_mass 140.010958616 ChemAxon smiles OC(=O)C=C1OC(=O)C=C1 ChemAxon formula C6H4O4 ChemAxon inchi InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8) ChemAxon inchikey AYFXPGXAZMFWNH-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 33.33 ChemAxon polarizability 11.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon gamma-Hexachlorocyclohexane degradation ec00361 Microbial metabolism in diverse environments ec01120 Specdb::MsMs 1316080 Specdb::MsMs 1316081 Specdb::MsMs 1316082 Specdb::MsMs 1430542 Specdb::MsMs 1430543 Specdb::MsMs 1430544 5280677 4444269 C12838 38107 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 Putative carboxymethylenebutenolidase P56262 DLHH_ECOLI ysgA http://ecmdb.ca/proteins/P56262.xml Trans-4-Carboxymethylenebut-2-en-4-olide + Water <> 2-Maleylacetate R06838