2.02012-05-31 14:27:38 -06002015-06-03 17:19:19 -0600ECMDB20103M2MDB0009515-Dehydro-4-deoxy-D-glucuronate5-dehydro-4-deoxy-D-glucuronate is a member of the chemical class known as Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.(4S,5R)-4,5-dihydroxy-2,6-dioxohexanoate(4S,5R)-4,5-Dihydroxy-2,6-dioxohexanoic acid4,5-dihydroxy-2,6-dioxo-hexanoate4,5-Dihydroxy-2,6-dioxo-hexanoic acid4-Deoxy-5-ketouronate4-deoxy-5-ketouronic acid4-Deoxy-L-threo-5-hexosulose uronate4-Deoxy-L-threo-5-hexosulose uronic acid5-Dehydro-4-deoxy-D-glucuronic acid5-keto-4-deoxyuronate5-keto-4-Deoxyuronic acidDKIC6H8O6176.1241176.032087988(4S,5R)-4,5-dihydroxy-2,6-dioxohexanoic acid(4S,5R)-4,5-dihydroxy-2,6-dioxohexanoic acid[H][C@](O)(CC(=O)C(O)=O)[C@@]([H])(O)C=OInChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1IMUGYKFHMJLTOU-UCORVYFPSA-NCytoplasmPeriplasmlogp-0.83logs-0.47solubility5.95e+01 g/llogp-1.6pka_strongest_acidic2.74pka_strongest_basic-3.3iupac(4S,5R)-4,5-dihydroxy-2,6-dioxohexanoic acidaverage_mass176.1241mono_mass176.032087988smiles[H][C@](O)(CC(=O)C(O)=O)[C@@]([H])(O)C=OformulaC6H8O6inchiInChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1inchikeyIMUGYKFHMJLTOU-UCORVYFPSA-Npolar_surface_area111.9refractivity35.26polarizability14.62rotatable_bond_count5acceptor_count6donor_count3physiological_charge-1formal_charge0Pentose and glucuronate interconversionsec00040Collection of Reactions without pathwaysPW001891MetabolicSpecdb::CMs1084004Specdb::NmrOneD253568Specdb::NmrOneD253569Specdb::NmrOneD253570Specdb::NmrOneD253571Specdb::NmrOneD253572Specdb::NmrOneD253573Specdb::NmrOneD253574Specdb::NmrOneD253575Specdb::NmrOneD253576Specdb::NmrOneD253577Specdb::NmrOneD253578Specdb::NmrOneD253579Specdb::NmrOneD253580Specdb::NmrOneD253581Specdb::NmrOneD253582Specdb::NmrOneD253583Specdb::NmrOneD253584Specdb::NmrOneD253585Specdb::NmrOneD253586Specdb::NmrOneD253587Specdb::MsMs29648Specdb::MsMs29649Specdb::MsMs29650Specdb::MsMs36206Specdb::MsMs36207Specdb::MsMs36208440207389194C0405317117CPD-37D54Kanehisa, 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-D114.220805104-deoxy-L-threo-5-hexosulose-uronate ketol-isomeraseQ46938KDUI_ECOLIkduIhttp://ecmdb.ca/proteins/Q46938.xml5-Dehydro-4-deoxy-D-glucuronate <> (4S)-4,6-Dihydroxy-2,5-dioxohexanoateR043835-Dehydro-4-deoxy-D-glucuronate > (4S)-4,6-Dihydroxy-2,5-dioxohexanoate