Cellobiose
PubChem CID: 10712
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| Compound Synonyms | D-(+)-Cellobiose, cellobiose, beta-Cellobiose, 528-50-7, D-Cellobiose, D(+)-Cellobiose, Cellose, 4-(beta-D-Glucosido)-D-glucose, delta-Cellobiose, UNII-BM3MOX055H, CHEBI:36217, AI3-18877, delta-(+)-Cellobiose, 4-O-beta-D-Glucopyranosyl-D-glucose, EINECS 208-436-5, 4-O-beta-D-glucopyranosyl-beta-D-glucopyranose, D-Glucosyl-beta-(1-4)-D-glucose, BM3MOX055H, beta-D-glucosyl-(1->4)-beta-D-glucose, 4-beta-D-glucopyranosyl-D-glucopyranose, 4-(b-D-Glucosido)-D-glucose, DTXSID00873933, 4-O-b-D-Glucopyranosyl-D-glucose, D-Glucosyl-b-(1->4)-D-glucose, 4-(b-delta-Glucosido)-delta-glucose, D-Glucosyl-beta-(1->4)-D-glucose, MFCD00136034, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, Cellulose, ss-Amylose, 4-(beta-delta-Glucosido)-delta-glucose, D-Glucose, 4-O-beta-D-glucopyranosyl-, a-Cellulose (powdered), delta-Glucosyl-beta-(1-4)-delta-glucose, delta-Glucosyl-beta-(1->4)-delta-glucose, 4-O-beta-delta-Glucopyranosyl-delta-glucose, D-Glucopyranose, 4-O-beta-D-glucopyranosyl-, 4-Beta-delta-Glucopyranosyl-delta-glucopyranose, 1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose, beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose, D-Glucose, 4-O-.beta.-D-glucopyranosyl-, D-celiobiose, beta-D-Cellobiose, (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, CHEBI:17057, DTXSID001015527, DCellobiose, b-cellobiose, 2rfy, D(+)Cellobiose, NCGC00095661-01, Glcbeta1-4Glcbeta, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy)oxane-3,4,5-triol, (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, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol, Glcb1-4Glcb, Cellobiose (8CI), beta-D-glucopyranosyl-(1->4)-D-glucopyranose, 1qi0, 1z3t, 4(betaDGlucosido)Dglucose, DGlucosylbeta(14)Dglucose, 4ObetaDGlucopyranosylDglucose, DSSTox_CID_25984, DSSTox_RID_81272, DSSTox_GSID_45984, SCHEMBL21348, beta-D-Glc-(1-4)-D-Glc, DGlucose, 4ObetaDglucopyranosyl, CHEMBL1231670, DTXCID1025984, DTXSID3045984, 4betaDGlucopyranosylDglucopyranose, 2-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol, 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, beta-D-Glc-(1-->4)-D-Glc, DTXCID201473793, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, 9004-34-6, NSC 2559, beta-D-Glc-(1->4)-beta-D-Glc, Tox21_111512, beta-D-Glcp-(1->4)-beta-D-Glcp, GEO-04676, b-D-GLC-(1->4)-b-D-GLC, b-D-Glucosyl-(1->4)-b-D-glucose, AKOS024462559, b-D-GLCP-(1->4)-b-D-GLCP, 4-O-b-D-Glucopyranosyl-b-D-glucopyranose, AS-11681, CAS-528-50-7, 1-b-D-Glucopyranosyl-4-b-D-glucopyranose, 4 O beta D Glucopyranosyl D glucopyranose, C06422, beta-D-glucopyranose, 4-O-beta-D-glucopyranosyl-, D-Glucose, 4-O-beta-D-glucopyranosyl- (6CI,9CI), 75E7DA6F-2B17-4FB0-A5D1-65DB9CE697EF, Q27104340, 208-436-5, 6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,4-triol |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Description | Cellobiose is a disaccharide consisting of two glucose units in a beta (1-4) glycosidic linkage. It is a microbial breakdown product from plant material (cellulose). It may be found in some food products (vegetables, fruits, corn syrups, etc.). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Enzyme Uniprot Id | P14314, P04062 |
| Uniprot Id | P14314, P04062, Q9H227, P10275 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -4.7 |
| Superclass | Organooxygen compounds |
| Subclass | Glycosyl compounds |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUBGYTABKSRVRQ-QRZGKKJRSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.383 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -3.145 |
| Synonyms | 1-b-D-Glucopyranosyl-4-b-D-glucopyranose, 1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose, 1-beta-D-Glucopyranosyl-4-D-glucopyranose, 1-β-D-glucopyranosyl-4-β-D-glucopyranose, 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-b-D-glucopyranose, 4-O-b-D-Glucopyranosyl-D-glucose, 4-O-beta-D-Glucopyranosyl-beta-D-glucopyranose, 4-O-beta-D-glucopyranosyl-D-glucopyranose, 4-O-beta-D-Glucopyranosyl-D-glucose, 4-O-beta-delta-Glucopyranosyl-delta-glucose, 4-O-β-D-glucopyranosyl-β-D-glucopyranose, b-Cellobiose, b-D-Glc-(1->4)-b-D-glc, b-D-Glcp-(1->4)-b-D-glcp, b-D-Glucosyl-(1->4)-b-D-glucose, beta-Cellobiose, beta-D-Glc-(1->4)-beta-D-glc, beta-D-Glcp-(1->4)-beta-D-glcp, beta-D-Glucosyl-(1->4)-beta-D-glucose, Cellobiose, Cellose, D-(+)-cellobiose, D-cellobiose, D-Glucose, 4-O-beta-D-glucopyranosyl-, D-Glucosyl-b-(1->4)-D-glucose, D-Glucosyl-beta-(1->4)-D-glucose, D-Glucosyl-beta-(1-4)-D-glucose, delta-(+)-Cellobiose, delta-Cellobiose, delta-Glucosyl-beta-(1->4)-delta-glucose, delta-Glucosyl-beta-(1-4)-delta-glucose, Glcbeta1-4glcbeta, β-cellobiose, β-D-glc-(1->4)-β-D-glc, β-D-glcp-(1->4)-β-D-glcp, β-D-glucosyl-(1->4)-β-D-glucose, beta-D-GLC-(1->4)-beta-D-GLC, beta-D-GLCP-(1->4)-beta-D-GLCP, GLCB1-4GLCB, 1-Β-D-glucopyranosyl-4-β-D-glucopyranose, 4-O-Β-D-glucopyranosyl-β-D-glucopyranose, b-D-GLC-(1->4)-b-D-GLC, Β-D-GLC-(1->4)-β-D-GLC, b-D-GLCP-(1->4)-b-D-GLCP, Β-D-GLCP-(1->4)-β-D-GLCP, Β-D-glucosyl-(1->4)-β-D-glucose, 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, D-(+)-Cellobiose, D-Cellobiose, 4 O beta D Glucopyranosyl D glucopyranose, 4-O-beta-D-Glucopyranosyl-D-glucopyranose, Β-cellobiose, CELLOBIOSE |
| Substituent Name | O-glycosyl compound, Disaccharide, Oxane, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Cellobiose |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.5508586 |
| Inchi | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:fooddb_chem_all