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Cellobiose (PC000367)

Record Information
Version1.0
Creation date2015-10-09 22:30:14 UTC
Update date2017-01-19 02:36:21 UTC
FoodComEx IDPC000367
FoodDB RecordFDB007497
Chemical Information
NameCellobiose
DescriptionCellobiose 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.).
CAS Number528-50-7
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
1-b-D-Glucopyranosyl-4-b-D-glucopyranoseGenerator
1-beta-D-Glucopyranosyl-4-beta-D-glucopyranoseChEBI
1-beta-D-Glucopyranosyl-4-D-glucopyranosebiospider
1-β-D-glucopyranosyl-4-β-D-glucopyranoseGenerator
4-(b-D-glucosido)-D-GlucoseHMDB
4-(b-delta-glucosido)-delta-GlucoseHMDB
4-(beta-D-glucosido)-D-GlucoseHMDB
4-(beta-delta-glucosido)-delta-GlucoseHMDB
4-Beta-D-Glucopyranosyl-D-glucopyranosebiospider
4-beta-delta-Glucopyranosyl-delta-glucopyranoseHMDB
4-O-b-D-Glucopyranosyl-b-D-glucopyranoseGenerator
4-O-b-D-Glucopyranosyl-D-glucosebiospider
4-O-beta-D-Glucopyranosyl-beta-D-glucopyranoseChEBI
4-O-beta-D-glucopyranosyl-D-glucopyranosebiospider
4-O-beta-D-Glucopyranosyl-D-glucosebiospider
4-O-beta-delta-Glucopyranosyl-delta-glucoseHMDB
4-O-β-D-glucopyranosyl-β-D-glucopyranoseGenerator
b-CellobioseGenerator
b-D-Glc-(1->4)-b-D-glcGenerator
b-D-Glcp-(1->4)-b-D-glcpGenerator
b-D-Glucosyl-(1->4)-b-D-glucoseGenerator
beta-CellobioseChEBI
beta-D-Glc-(1->4)-beta-D-glcChEBI
beta-D-Glcp-(1->4)-beta-D-glcpChEBI
beta-D-Glucosyl-(1->4)-beta-D-glucoseChEBI
Cellobiosebiospider
Cellosebiospider
D-(+)-cellobiosebiospider
D-cellobiosebiospider
D-Glucose, 4-O-beta-D-glucopyranosyl-biospider
D-Glucosyl-b-(1->4)-D-glucoseHMDB
D-Glucosyl-beta-(1->4)-D-glucoseHMDB
D-Glucosyl-beta-(1-4)-D-glucosebiospider
delta-(+)-CellobioseHMDB
delta-CellobioseHMDB
delta-Glucosyl-beta-(1->4)-delta-glucoseHMDB
delta-Glucosyl-beta-(1-4)-delta-glucoseHMDB
Glcbeta1-4glcbetaChEBI
β-cellobioseGenerator
β-D-glc-(1->4)-β-D-glcGenerator
β-D-glcp-(1->4)-β-D-glcpGenerator
β-D-glucosyl-(1->4)-β-D-glucoseGenerator
Chemical FormulaC12H22O11
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
InChI IdentifierInChI=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
InChI KeyGUBGYTABKSRVRQ-QRZGKKJRSA-N
Isomeric SMILESOC[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
Average Molecular Weight342.2965
Monoisotopic Molecular Weight342.116211546
Chemical Taxonomy
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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubility111 mg/mL at 15 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point229-230 oC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available