{"ymdb_id":"YMDB00869","created_at":"2011-05-29T18:59:50.000Z","updated_at":"2016-09-08T18:36:00.000Z","name":"Cellobiose","cas":"528-50-7","state":"Solid","melting_point":"229-230 oC","description":"Cellobiose is a disaccharide consisting of two glucose units in a beta (1-\u003e4) glycosidic linkage. It is a breakdown product from the cell wall polysaccharide cellulose.","experimental_water_solubility":"111 mg/mL at 15 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"","location":null,"synthesis_reference":"Machida, Makoto; Hosokawa, Koji.  Enzymic preparation of cellooligosaccharide with cellulase.    Jpn. Kokai Tokkyo Koho  (2006),     20pp.  CODEN: JKXXAF  JP  2006204294  A  20060810  CAN 145:187210  AN 2006:786561   ","chebi_id":"17057","hmdb_id":"HMDB00055","kegg_id":"C00185","pubchem_id":"439178","cs_id":"23327704","foodb_id":null,"wikipedia_link":"Cellobiose","biocyc_id":"CPD-1161","iupac":"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol","traditional_iupac":"β-cellobiose","logp":"-4.703374863666666","pka":"12.173689317234608","alogps_solubility":"5.86e+02 g/l","alogps_logp":"-3.01","alogps_logs":"0.23","acceptor_count":"11","donor_count":"8","rotatable_bond_count":"4","polar_surface_area":"189.52999999999997","refractivity":"68.3367","polarizability":"31.080234566711404","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9810835652988272","pka_strongest_acidic":"11.254374125721942","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-(b-D-Glucosido)-D-glucose","4-(b-delta-Glucosido)-delta-glucose","4-(beta-D-Glucosido)-D-glucose","4-(beta-delta-Glucosido)-delta-glucose","4-Beta-D-Glucopyranosyl-D-glucopyranose","4-Beta-delta-Glucopyranosyl-delta-glucopyranose","4-O-b-D-Glucopyranosyl-D-glucose","4-O-beta-D-Glucopyranosyl-D-glucose","4-O-beta-delta-Glucopyranosyl-delta-glucose","Cellobiose","Cellose","D-(+)-Cellobiose","D-Cellobiose","D-Glucosyl-b-(1-\u003e4)-D-glucose","D-Glucosyl-beta-(1-\u003e4)-D-glucose","D-Glucosyl-beta-(1-4)-D-glucose","delta-(+)-Cellobiose","delta-Cellobiose","delta-Glucosyl-beta-(1-\u003e4)-delta-glucose","delta-Glucosyl-beta-(1-4)-delta-glucose"],"pathways":[{"name":"Starch and sucrose metabolism","kegg_map_id":"00500"}],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."}],"proteins":[]}