2.0 2012-05-31 14:29:24 -0600 2015-06-03 17:19:23 -0600 ECMDB20136 M2MDB000984 D-Altronate D-altronate is a member of the chemical class known as Sugar Acids and Derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. Altronate Altronic acid D-Altronate D-Altronic acid Gulonate Gulonic acid C6H12O7 196.1553 196.058302738 (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid D-altronic acid [H][C@@](O)(CO)[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+/m1/s1 RGHNJXZEOKUKBD-AIHAYLRMSA-N Cytosol 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,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid ChemAxon average_mass 196.1553 ChemAxon mono_mass 196.058302738 ChemAxon smiles [H][C@@](O)(CO)[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+/m1/s1 ChemAxon inchikey RGHNJXZEOKUKBD-AIHAYLRMSA-N ChemAxon polar_surface_area 138.45 ChemAxon refractivity 38.27 ChemAxon polarizability 16.95 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 D-galacturonate degradation I GALACTUROCAT-PWY Specdb::CMs 1084375 Specdb::NmrOneD 338608 Specdb::NmrOneD 338609 Specdb::NmrOneD 338610 Specdb::NmrOneD 338611 Specdb::NmrOneD 338612 Specdb::NmrOneD 338613 Specdb::NmrOneD 338614 Specdb::NmrOneD 338615 Specdb::NmrOneD 338616 Specdb::NmrOneD 338617 Specdb::NmrOneD 338618 Specdb::NmrOneD 338619 Specdb::NmrOneD 338620 Specdb::NmrOneD 338621 Specdb::NmrOneD 338622 Specdb::NmrOneD 338623 Specdb::NmrOneD 338624 Specdb::NmrOneD 338625 Specdb::NmrOneD 338626 Specdb::NmrOneD 338627 Specdb::MsMs 28043 Specdb::MsMs 28044 Specdb::MsMs 28045 Specdb::MsMs 34601 Specdb::MsMs 34602 Specdb::MsMs 34603 439315 388446 C00817 17360 D-ALTRONATE Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 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 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 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 Altronate oxidoreductase P0A6L7 UXAB_ECOLI uxaB http://ecmdb.ca/proteins/P0A6L7.xml Altronate hydrolase P42604 UXAA_ECOLI uxaA http://ecmdb.ca/proteins/P42604.xml D-Altronate + NAD <> Hydrogen ion + NADH + 5-Keto-D-gluconate + D-Tagaturonate R02555 D-Altronate <> 2-Keto-3-deoxy-D-gluconic acid + Water R01540 ALTRODEHYDRAT-RXN D-Altronate + NAD <> 5-Keto-D-gluconate + NADH + Hydrogen ion R02555 NAD + D-Altronate <> Hydrogen ion + NADH + D-tagaturonate ALTRO-OXIDOREDUCT-RXN D-Altronate > Water + 2-Keto-3-deoxy-D-gluconic acid ALTRODEHYDRAT-RXN D-Altronate + NAD > D-tagaturonate + NADH