1.0 2016-09-30 22:54:25 UTC 2020-05-11 20:45:12 UTC BMDB0002349 BMDB02349 trans-trans-Muconic acid (2E,4E)-2,4-Hexadienedioic acid (e,e)-2,4-Hexadienedioic acid (e,e)-Muconic acid trans,trans-1,3-Butadiene-1,4-dicarboxylic acid trans,trans-2,4-Hexadienedioic acid trans,trans-Buta-1,3-diene-1,4-dicarboxylic acid (2E,4E)-2,4-Hexadienedioate (e,e)-2,4-Hexadienedioate (e,e)-Muconate trans,trans-1,3-Butadiene-1,4-dicarboxylate trans,trans-2,4-Hexadienedioate trans,trans-Buta-1,3-diene-1,4-dicarboxylate trans-trans-Muconate cis,cis-Muconate Muconic acid Muconic acid, (e,e)-isomer trans-beta-Hydromuconic acid 1,3-Butadiene-1,4-dicarboxylate 1,3-Butadiene-1,4-dicarboxylic acid Hexa-2,4-dienedioate Hexa-2,4-dienedioic acid trans,trans-Muconic acid C6H6O4 142.1094 142.02660868 (2E,4E)-hexa-2,4-dienedioic acid trans, trans-muconic acid 3588-17-8 OC(=O)\C=C\C=C\C(O)=O InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+ TXXHDPDFNKHHGW-ZPUQHVIOSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Medium-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Aliphatic acyclic compounds Dicarboxylic acids muconic acid Solid melting_point 301 °C water_solubility 0.2 mg/mL at 15 °C logp 0.67 ALOGPS logs -1.61 ALOGPS logp 0.49 ChemAxon pka_strongest_acidic 3.87 ChemAxon iupac (2E,4E)-hexa-2,4-dienedioic acid ChemAxon average_mass 142.1094 ChemAxon mono_mass 142.02660868 ChemAxon smiles OC(=O)\C=C\C=C\C(O)=O ChemAxon formula C6H6O4 ChemAxon inchi InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+ ChemAxon inchikey TXXHDPDFNKHHGW-ZPUQHVIOSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 34.93 ChemAxon polarizability 12.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 1292 Specdb::CMs 12305 Specdb::CMs 31411 Specdb::CMs 31918 Specdb::CMs 38381 Specdb::CMs 130828 Specdb::CMs 138562 Specdb::MsIr 1748 Specdb::MsIr 1749 Specdb::MsIr 1750 Specdb::MsMs 82320 Specdb::MsMs 82321 Specdb::MsMs 82322 Specdb::MsMs 143646 Specdb::MsMs 143647 Specdb::MsMs 143648 Specdb::MsMs 2764740 Specdb::MsMs 2764741 Specdb::MsMs 2764742 Specdb::MsMs 2943658 Specdb::MsMs 2943659 Specdb::MsMs 2943660 Specdb::NmrOneD 122358 Specdb::NmrOneD 122359 Specdb::NmrOneD 122360 Specdb::NmrOneD 122361 Specdb::NmrOneD 122362 Specdb::NmrOneD 122363 Specdb::NmrOneD 122364 Specdb::NmrOneD 122365 Specdb::NmrOneD 122366 Specdb::NmrOneD 122367 Specdb::NmrOneD 122368 Specdb::NmrOneD 122369 Specdb::NmrOneD 122370 Specdb::NmrOneD 122371 Specdb::NmrOneD 122372 Specdb::NmrOneD 122373 Specdb::NmrOneD 122374 Specdb::NmrOneD 122375 Specdb::NmrOneD 122376 Specdb::NmrOneD 122377 Platelet Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023893 4512358 5356793 27036 25-DICHLORO-CISCIS-MUCONATE Muconic_acid 6639 Erlenmeyer, H.; Schoenauer, W. A synthesis of trans-trans-muconic acid from fumaric acid. Helvetica Chimica Acta (1937), 20 1008-12.