2.02012-05-31 14:36:15 -06002015-06-03 17:19:40 -0600ECMDB20267M2MDB001110Cellobiose-6-phosphateCellobiose-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-glucopyranose4-O-(6-O-Phosphono-beta-D-glucopyranosyl)-D-glucopyranose4-O-(6-O-phosphono-β-D-Glucopyranosyl)-D-glucopyranose6'-O-Phosphonocellobiose6'-Phosphocellobiose6-O-phosphono-b-D-Glucopyranosyl-(1->4)-D-glucopyranose6-O-Phosphono-beta-D-glucopyranosyl-(1->4)-D-glucopyranose6-O-phosphono-β-D-Glucopyranosyl-(1->4)-D-glucopyranose6-phospho-b-D-Glucoside-(1,4)-D-glucose6-phospho-b-D-Glucosyl-(1,4)-D-glucose6-phospho-b-D-Glucosyl-(1->4)-D-glucose6-Phospho-beta-D-glucoside-(1,4)-D-glucose6-Phospho-beta-D-glucosyl-(1,4)-D-glucose6-Phospho-beta-D-glucosyl-(1->4)-D-glucose6-phospho-β-D-Glucoside-(1,4)-D-glucose6-phospho-β-D-Glucosyl-(1,4)-D-glucose6-phospho-β-D-Glucosyl-(1->4)-D-glucoseCellobiose monophosphateCellobiose monophosphoric acidCellobiose-6-pCellobiose-6-phosphateCellobiose-6-phosphoric acidC12H23O14P422.2764422.082541956{[(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 acidcellobiose 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])OInChI=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/s1ITPHOIFCAFNCLL-CUHNMECISA-NCytoplasmPeriplasmlogp-2.42logs-1.02solubility4.07e+01 g/llogp-4.8pka_strongest_acidic1.22pka_strongest_basic-3.6iupac{[(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 acidaverage_mass422.2764mono_mass422.082541956smiles[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])OformulaC12H23O14PinchiInChI=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/s1inchikeyITPHOIFCAFNCLL-CUHNMECISA-Npolar_surface_area236.06refractivity79.21polarizability35.7rotatable_bond_count6acceptor_count13donor_count9physiological_charge-2formal_charge0Glycolysis / Gluconeogenesisec00010Specdb::CMs1083556Specdb::EiMs5158Specdb::NmrOneD310291Specdb::NmrOneD310292Specdb::NmrOneD310293Specdb::NmrOneD310294Specdb::NmrOneD310295Specdb::NmrOneD310296Specdb::NmrOneD310297Specdb::NmrOneD310298Specdb::NmrOneD310299Specdb::NmrOneD310300Specdb::NmrOneD310301Specdb::NmrOneD310302Specdb::NmrOneD310303Specdb::NmrOneD310304Specdb::NmrOneD310305Specdb::NmrOneD310306Specdb::NmrOneD310307Specdb::NmrOneD310308Specdb::NmrOneD310309Specdb::NmrOneD310310Specdb::MsMs27641Specdb::MsMs27642Specdb::MsMs27643Specdb::MsMs34199Specdb::MsMs34200Specdb::MsMs3420154599474573666C04534CPD-507Keseler, 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-D590.21097882Kanehisa, 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-D114.22080510van 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 370:17-25.17765195Winder, 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 80:2939-2948.18331064PTS system beta-glucoside-specific EIIBCA componentP08722PTV3B_ECOLIbglFhttp://ecmdb.ca/proteins/P08722.xml6-phospho-beta-glucosidase BglBP11988BGLB_ECOLIbglBhttp://ecmdb.ca/proteins/P11988.xml6-phospho-beta-glucosidaseP17411CHBF_ECOLIchbFhttp://ecmdb.ca/proteins/P17411.xml6-phospho-beta-glucosidase AscBP24240ASCB_ECOLIascBhttp://ecmdb.ca/proteins/P24240.xml6-phospho-beta-glucosidase BglAQ46829BGLA_ECOLIbglAhttp://ecmdb.ca/proteins/Q46829.xmlPTS system beta-glucoside-specific EIIBCA componentP08722PTV3B_ECOLIbglFhttp://ecmdb.ca/proteins/P08722.xmlCellobiose-6-phosphate + Water > Glucose 6-phosphate + b-D-Glucose6-PHOSPHO-BETA-GLUCOSIDASE-RXNPhosphoenolpyruvic acid + Cellobiose > Cellobiose-6-phosphate + Pyruvic acidTRANS-RXN-155Cellobiose-6-phosphate + Water <> D-Glucose + Glucose 6-phosphateR00839 R06112