| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:19:03 UTC |
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| Update Date | 2020-05-11 22:23:55 UTC |
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| BMDB ID | BMDB0000055 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Cellobiose |
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| Description | Cellobiose, also known as GLCB1-4GLCB or cellose, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cellobiose is an extremely weak basic (essentially neutral) compound (based on its pKa). Cellobiose exists in all living species, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose | ChEBI | | 4-O-beta-D-Glucopyranosyl-beta-D-glucopyranose | ChEBI | | beta-D-GLC-(1->4)-beta-D-GLC | ChEBI | | beta-D-GLCP-(1->4)-beta-D-GLCP | ChEBI | | beta-D-Glucosyl-(1->4)-beta-D-glucose | ChEBI | | GLCB1-4GLCB | ChEBI | | Glcbeta1-4glcbeta | ChEBI | | 1-b-D-Glucopyranosyl-4-b-D-glucopyranose | Generator | | 1-Β-D-glucopyranosyl-4-β-D-glucopyranose | Generator | | 4-O-b-D-Glucopyranosyl-b-D-glucopyranose | Generator | | 4-O-Β-D-glucopyranosyl-β-D-glucopyranose | Generator | | b-D-GLC-(1->4)-b-D-GLC | Generator | | Β-D-GLC-(1->4)-β-D-GLC | Generator | | b-D-GLCP-(1->4)-b-D-GLCP | Generator | | Β-D-GLCP-(1->4)-β-D-GLCP | Generator | | b-D-Glucosyl-(1->4)-b-D-glucose | Generator | | Β-D-glucosyl-(1->4)-β-D-glucose | Generator | | 4-(b-D-Glucosido)-D-glucose | HMDB | | 4-(b-delta-Glucosido)-delta-glucose | HMDB | | 4-(beta-D-Glucosido)-D-glucose | HMDB | | 4-(beta-delta-Glucosido)-delta-glucose | HMDB | | 4-beta-D-Glucopyranosyl-D-glucopyranose | HMDB | | 4-beta-delta-Glucopyranosyl-delta-glucopyranose | HMDB | | 4-O-b-D-Glucopyranosyl-D-glucose | HMDB | | 4-O-beta-D-Glucopyranosyl-D-glucose | HMDB | | 4-O-beta-delta-Glucopyranosyl-delta-glucose | HMDB | | Cellose | HMDB | | D-(+)-Cellobiose | HMDB | | D-Cellobiose | HMDB | | D-Glucosyl-b-(1->4)-D-glucose | HMDB | | D-Glucosyl-beta-(1-4)-D-glucose | HMDB | | D-Glucosyl-beta-(1->4)-D-glucose | HMDB | | delta-(+)-Cellobiose | HMDB | | delta-Cellobiose | HMDB | | delta-Glucosyl-beta-(1-4)-delta-glucose | HMDB | | delta-Glucosyl-beta-(1->4)-delta-glucose | HMDB | | 4 O beta D Glucopyranosyl D glucopyranose | HMDB | | 4-O-beta-D-Glucopyranosyl-D-glucopyranose | HMDB | | b-Cellobiose | HMDB | | Β-cellobiose | HMDB | | CELLOBIOSE | ChEBI |
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| Chemical Formula | C12H22O11 |
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| Average Molecular Weight | 342.2965 |
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| Monoisotopic Molecular Weight | 342.116211546 |
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| IUPAC Name | (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 |
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| Traditional Name | β-cellobiose |
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| CAS Registry Number | 528-50-7 |
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| SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
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| InChI Identifier | 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 |
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| InChI Key | GUBGYTABKSRVRQ-QRZGKKJRSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | O-glycosyl compounds |
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| Alternative Parents | |
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| Substituents | - O-glycosyl compound
- Disaccharide
- Oxane
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 229 - 230 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 111.0 mg/mL at 15 °C | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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