2.0 2012-05-31 14:36:15 -0600 2015-06-03 17:19:40 -0600 ECMDB20267 M2MDB001110 Cellobiose-6-phosphate Cellobiose-6-phosphate is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates. Cellobiose-6-phosphate is invovled in Cellobiose transport. r 15;80(8):2939-48.) 4-O-(6-O-phosphono-b-D-Glucopyranosyl)-D-glucopyranose 4-O-(6-O-Phosphono-beta-D-glucopyranosyl)-D-glucopyranose 4-O-(6-O-phosphono-β-D-Glucopyranosyl)-D-glucopyranose 6'-O-Phosphonocellobiose 6'-Phosphocellobiose 6-O-phosphono-b-D-Glucopyranosyl-(1->4)-D-glucopyranose 6-O-Phosphono-beta-D-glucopyranosyl-(1->4)-D-glucopyranose 6-O-phosphono-β-D-Glucopyranosyl-(1->4)-D-glucopyranose 6-phospho-b-D-Glucoside-(1,4)-D-glucose 6-phospho-b-D-Glucosyl-(1,4)-D-glucose 6-phospho-b-D-Glucosyl-(1->4)-D-glucose 6-Phospho-beta-D-glucoside-(1,4)-D-glucose 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose 6-Phospho-beta-D-glucosyl-(1->4)-D-glucose 6-phospho-β-D-Glucoside-(1,4)-D-glucose 6-phospho-β-D-Glucosyl-(1,4)-D-glucose 6-phospho-β-D-Glucosyl-(1->4)-D-glucose Cellobiose monophosphate Cellobiose monophosphoric acid Cellobiose-6-p Cellobiose-6-phosphate Cellobiose-6-phosphoric acid C12H23O14P 422.2764 422.082541956 {[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acid cellobiose monophosphate [H]C1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1 ITPHOIFCAFNCLL-CUHNMECISA-N Cytoplasm Periplasm logp -2.42 ALOGPS logs -1.02 ALOGPS solubility 4.07e+01 g/l ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 1.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 422.2764 ChemAxon mono_mass 422.082541956 ChemAxon smiles [H]C1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C12H23O14P ChemAxon inchi InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1 ChemAxon inchikey ITPHOIFCAFNCLL-CUHNMECISA-N ChemAxon polar_surface_area 236.06 ChemAxon refractivity 79.21 ChemAxon polarizability 35.7 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Glycolysis / Gluconeogenesis ec00010 Specdb::CMs 1083556 Specdb::EiMs 5158 Specdb::NmrOneD 310291 Specdb::NmrOneD 310292 Specdb::NmrOneD 310293 Specdb::NmrOneD 310294 Specdb::NmrOneD 310295 Specdb::NmrOneD 310296 Specdb::NmrOneD 310297 Specdb::NmrOneD 310298 Specdb::NmrOneD 310299 Specdb::NmrOneD 310300 Specdb::NmrOneD 310301 Specdb::NmrOneD 310302 Specdb::NmrOneD 310303 Specdb::NmrOneD 310304 Specdb::NmrOneD 310305 Specdb::NmrOneD 310306 Specdb::NmrOneD 310307 Specdb::NmrOneD 310308 Specdb::NmrOneD 310309 Specdb::NmrOneD 310310 Specdb::MsMs 27641 Specdb::MsMs 27642 Specdb::MsMs 27643 Specdb::MsMs 34199 Specdb::MsMs 34200 Specdb::MsMs 34201 5459947 4573666 C04534 CPD-507 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 PTS system beta-glucoside-specific EIIBCA component P08722 PTV3B_ECOLI bglF http://ecmdb.ca/proteins/P08722.xml 6-phospho-beta-glucosidase BglB P11988 BGLB_ECOLI bglB http://ecmdb.ca/proteins/P11988.xml 6-phospho-beta-glucosidase P17411 CHBF_ECOLI chbF http://ecmdb.ca/proteins/P17411.xml 6-phospho-beta-glucosidase AscB P24240 ASCB_ECOLI ascB http://ecmdb.ca/proteins/P24240.xml 6-phospho-beta-glucosidase BglA Q46829 BGLA_ECOLI bglA http://ecmdb.ca/proteins/Q46829.xml PTS system beta-glucoside-specific EIIBCA component P08722 PTV3B_ECOLI bglF http://ecmdb.ca/proteins/P08722.xml Cellobiose-6-phosphate + Water > Glucose 6-phosphate + b-D-Glucose 6-PHOSPHO-BETA-GLUCOSIDASE-RXN Phosphoenolpyruvic acid + Cellobiose > Cellobiose-6-phosphate + Pyruvic acid TRANS-RXN-155 Cellobiose-6-phosphate + Water <> D-Glucose + Glucose 6-phosphate R00839 R06112