2.0 2012-05-31 14:24:31 -0600 2015-06-03 17:19:11 -0600 ECMDB20044 M2MDB000893 2-Hydroxy-cis-hex-2,4-dienoate 2-hydroxy-cis-hex-2,4-dienoate belongs to the class of Unsaturated Fatty Acids. These are fatty acids whose chain contains at least one CC double bond. (inferred from compound structure) 2,4-Dihydroxy-5-methyl-6-oxohexa-2,4-dienoate 2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid 2-Hydroxy-cis-hex-2,4-dienoic acid DHMOHA C6H8O3 128.1259 128.047344122 (2E,4Z)-2-hydroxyhexa-2,4-dienoic acid 2-hydroxy-cis-hex-2,4-dienoate [H]\C(C)=C(/[H])\C(\[H])=C(\O)C(O)=O InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+ VPGPQVKJUYKKNN-AWYLAFAOSA-N Outer membrane Inner membrane logp 0.91 ALOGPS logs -0.94 ALOGPS solubility 1.46e+01 g/l ALOGPS logp 0.93 ChemAxon pka_strongest_acidic 4.01 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac (2E,4Z)-2-hydroxyhexa-2,4-dienoic acid ChemAxon average_mass 128.1259 ChemAxon mono_mass 128.047344122 ChemAxon smiles [H]\C(C)=C(/[H])\C(\[H])=C(\O)C(O)=O ChemAxon formula C6H8O3 ChemAxon inchi InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+ ChemAxon inchikey VPGPQVKJUYKKNN-AWYLAFAOSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 35.25 ChemAxon polarizability 12.37 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Toluene and xylene degradation ec00622 Microbial metabolism in diverse environments ec01120 Collection of Reactions without pathways PW001891 Metabolic Specdb::CMs 1086009 Specdb::NmrOneD 345568 Specdb::NmrOneD 345569 Specdb::NmrOneD 345570 Specdb::NmrOneD 345571 Specdb::NmrOneD 345572 Specdb::NmrOneD 345573 Specdb::NmrOneD 345574 Specdb::NmrOneD 345575 Specdb::NmrOneD 345576 Specdb::NmrOneD 345577 Specdb::NmrOneD 345578 Specdb::NmrOneD 345579 Specdb::NmrOneD 345580 Specdb::NmrOneD 345581 Specdb::NmrOneD 345582 Specdb::NmrOneD 345583 Specdb::NmrOneD 345584 Specdb::NmrOneD 345585 Specdb::NmrOneD 345586 Specdb::NmrOneD 345587 Specdb::MsMs 23006 Specdb::MsMs 23007 Specdb::MsMs 23008 Specdb::MsMs 29804 Specdb::MsMs 29805 Specdb::MsMs 29806 11953951 10128250 C11354 CPD-9137 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 2-keto-4-pentenoate hydratase P77608 MHPD_ECOLI mhpD http://ecmdb.ca/proteins/P77608.xml 2-Hydroxy-cis-hex-2,4-dienoate + Water <> 4-Hydroxy-2-oxohexanoic acid R05864