2.0 2012-08-09 09:25:08 -0600 2015-06-03 17:21:38 -0600 ECMDB21494 M2MDB001889 3-Keto-L-gulonic acid 3-keto-L-gulonic acid is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose. 3-keto-L-gulonic acid is invovled in Ascorbic acid degradation. 2-Keto-L-gulonate 2-Keto-L-gulonic acid 2-Oxo-L-gulonate 2-Oxo-L-gulonic acid 3-Keto-L-Gulonate 3-Keto-L-Gulonic acid L-Sorbosonate L-Sorbosonic acid L-Xylo-2-Hexulosonate L-Xylo-2-Hexulosonic acid L-Xylo-hex-2-ulosonate L-Xylo-hex-2-ulosonic acid L-Xylohexulosonate L-Xylohexulosonic acid C6H10O7 194.1394 194.042652674 (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid 2-keto-L-gulonic acid 526-98-7 [H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)C(O)=O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4-/m0/s1 VBUYCZFBVCCYFD-NUNKFHFFSA-N Solid Cytoplasm logp -2.41 ALOGPS logs -0.28 ALOGPS solubility 1.01e+02 g/l ALOGPS melting_point 171 oC logp -2.5 ChemAxon pka_strongest_acidic 2.67 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid ChemAxon average_mass 194.1394 ChemAxon mono_mass 194.042652674 ChemAxon smiles [H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)C(O)=O ChemAxon formula C6H10O7 ChemAxon inchi InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4-/m0/s1 ChemAxon inchikey VBUYCZFBVCCYFD-NUNKFHFFSA-N ChemAxon polar_surface_area 135.29 ChemAxon refractivity 37.65 ChemAxon polarizability 16.23 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1538 Specdb::CMs 1546 Specdb::NmrOneD 247468 Specdb::NmrOneD 247469 Specdb::NmrOneD 247470 Specdb::NmrOneD 247471 Specdb::NmrOneD 247472 Specdb::NmrOneD 247473 Specdb::NmrOneD 247474 Specdb::NmrOneD 247475 Specdb::NmrOneD 247476 Specdb::NmrOneD 247477 Specdb::NmrOneD 247478 Specdb::NmrOneD 247479 Specdb::NmrOneD 247480 Specdb::NmrOneD 247481 Specdb::NmrOneD 247482 Specdb::NmrOneD 247483 Specdb::NmrOneD 247484 Specdb::NmrOneD 247485 Specdb::NmrOneD 247486 Specdb::NmrOneD 247487 Specdb::MsMs 25712 Specdb::MsMs 25713 Specdb::MsMs 25714 Specdb::MsMs 32270 Specdb::MsMs 32271 Specdb::MsMs 32272 102424 92502 19543 Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. 18331064 2,3-diketo-L-gulonate reductase P37672 DLGD_ECOLI dlgD http://ecmdb.ca/proteins/P37672.xml L-xylulose/3-keto-L-gulonate kinase P37677 LYXK_ECOLI lyx http://ecmdb.ca/proteins/P37677.xml