2.02012-08-09 09:25:10 -06002015-06-03 17:21:40 -0600ECMDB21504M2MDB0018996-Phospho-beta-D-glucosyl-(1,4)-D-glucose6-phospho-beta-D-glucosyl-(1,4)-D-glucose is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates. 4-O-(6-O-phosphono-b-D-Glucopyranosyl)-b-D-glucopyranose4-O-(6-O-Phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose4-O-(6-O-phosphono-β-D-Glucopyranosyl)-β-D-glucopyranose6-O-phosphono-b-D-Glucopyranosyl-(1Right4)-b-D-glucopyranose6-O-Phosphono-beta-D-glucopyranosyl-(1right4)-beta-D-glucopyranose6-O-phosphono-β-D-Glucopyranosyl-(1Right4)-β-D-glucopyranose6-phospho-b-D-Glucosyl-(1,4)-D-glucose6-Phospho-beta-D-glucosyl-(1,4)-D-glucose6-phospho-β-D-Glucosyl-(1,4)-D-glucoseCellobiose 6-phosphateCellobiose 6-phosphoric acidC12H23O14P422.2764422.082541956{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acid[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxyphosphonic acid[H][C@@]1(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-QRZGKKJRSA-NCytoplasmlogp-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,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acidaverage_mass422.2764mono_mass422.082541956smiles[H][C@@]1(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-QRZGKKJRSA-Npolar_surface_area236.06refractivity79.21polarizability35.7rotatable_bond_count6acceptor_count13donor_count9physiological_charge-2formal_charge0Specdb::CMs1083669Specdb::EiMs5486Specdb::NmrOneD276698Specdb::NmrOneD276699Specdb::NmrOneD276700Specdb::NmrOneD276701Specdb::NmrOneD276702Specdb::NmrOneD276703Specdb::NmrOneD276704Specdb::NmrOneD276705Specdb::NmrOneD276706Specdb::NmrOneD276707Specdb::NmrOneD276708Specdb::NmrOneD276709Specdb::NmrOneD276710Specdb::NmrOneD276711Specdb::NmrOneD276712Specdb::NmrOneD276713Specdb::NmrOneD276714Specdb::NmrOneD276715Specdb::NmrOneD276716Specdb::NmrOneD276717Specdb::MsMs27554Specdb::MsMs27555Specdb::MsMs27556Specdb::MsMs34112Specdb::MsMs34113Specdb::MsMs34114440376389331C045342233van 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 370:17-25.177651956-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.xml6-Phospho-beta-D-glucosyl-(1,4)-D-glucose + Water > D-Glucose + Glucose 6-phosphate