2.0 2015-06-04 15:53:18 -0600 2015-08-05 16:22:04 -0600 ECMDB23811 M2MDB004431 L-Gulonate The L-enantiomer of gulonate Gulonate Gulonic acid L-Gulonate L-Gulonic acid C6H12O7 196.1553 196.058302738 (2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanoic acid L-gulonic acid 526-97-6 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1 RGHNJXZEOKUKBD-QTBDOELSSA-N logp -2.57 ALOGPS logs -0.09 ALOGPS solubility 1.59e+02 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 3.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanoic acid ChemAxon average_mass 196.1553 ChemAxon mono_mass 196.058302738 ChemAxon smiles OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O ChemAxon formula C6H12O7 ChemAxon inchi InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1 ChemAxon inchikey RGHNJXZEOKUKBD-QTBDOELSSA-N ChemAxon polar_surface_area 138.45 ChemAxon refractivity 38.27 ChemAxon polarizability 17.21 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Pentose and glucuronate interconversions ec00040 Metabolic pathways eco01100 Specdb::CMs 1084670 Specdb::NmrOneD 247328 Specdb::NmrOneD 247329 Specdb::NmrOneD 247330 Specdb::NmrOneD 247331 Specdb::NmrOneD 247332 Specdb::NmrOneD 247333 Specdb::NmrOneD 247334 Specdb::NmrOneD 247335 Specdb::NmrOneD 247336 Specdb::NmrOneD 247337 Specdb::NmrOneD 247338 Specdb::NmrOneD 247339 Specdb::NmrOneD 247340 Specdb::NmrOneD 247341 Specdb::NmrOneD 247342 Specdb::NmrOneD 247343 Specdb::NmrOneD 247344 Specdb::NmrOneD 247345 Specdb::NmrOneD 247346 Specdb::NmrOneD 247347 Specdb::MsMs 28256 Specdb::MsMs 28257 Specdb::MsMs 28258 Specdb::MsMs 34814 Specdb::MsMs 34815 Specdb::MsMs 34816 Specdb::MsMs 440178 Specdb::MsMs 451993 C00800 Starvation-sensing protein RspB P38105 RSPB_ECOLI rspB http://ecmdb.ca/proteins/P38105.xml L-Gulonate + NAD <> D-Fructuronate + NADH + Hydrogen ion R10848