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Showing metabocard for Cellobiose (BMDB0000055)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:19:03 UTC
Update Date2020-05-11 22:23:55 UTC
BMDB IDBMDB0000055
Secondary Accession Numbers
  • BMDB00055
Metabolite Identification
Common NameCellobiose
DescriptionCellobiose, 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.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-beta-D-Glucopyranosyl-4-beta-D-glucopyranoseChEBI
4-O-beta-D-Glucopyranosyl-beta-D-glucopyranoseChEBI
beta-D-GLC-(1->4)-beta-D-GLCChEBI
beta-D-GLCP-(1->4)-beta-D-GLCPChEBI
beta-D-Glucosyl-(1->4)-beta-D-glucoseChEBI
GLCB1-4GLCBChEBI
Glcbeta1-4glcbetaChEBI
1-b-D-Glucopyranosyl-4-b-D-glucopyranoseGenerator
1-Β-D-glucopyranosyl-4-β-D-glucopyranoseGenerator
4-O-b-D-Glucopyranosyl-b-D-glucopyranoseGenerator
4-O-Β-D-glucopyranosyl-β-D-glucopyranoseGenerator
b-D-GLC-(1->4)-b-D-GLCGenerator
Β-D-GLC-(1->4)-β-D-GLCGenerator
b-D-GLCP-(1->4)-b-D-GLCPGenerator
Β-D-GLCP-(1->4)-β-D-GLCPGenerator
b-D-Glucosyl-(1->4)-b-D-glucoseGenerator
Β-D-glucosyl-(1->4)-β-D-glucoseGenerator
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-glucopyranoseHMDB
4-beta-delta-Glucopyranosyl-delta-glucopyranoseHMDB
4-O-b-D-Glucopyranosyl-D-glucoseHMDB
4-O-beta-D-Glucopyranosyl-D-glucoseHMDB
4-O-beta-delta-Glucopyranosyl-delta-glucoseHMDB
CelloseHMDB
D-(+)-CellobioseHMDB
D-CellobioseHMDB
D-Glucosyl-b-(1->4)-D-glucoseHMDB
D-Glucosyl-beta-(1-4)-D-glucoseHMDB
D-Glucosyl-beta-(1->4)-D-glucoseHMDB
delta-(+)-CellobioseHMDB
delta-CellobioseHMDB
delta-Glucosyl-beta-(1-4)-delta-glucoseHMDB
delta-Glucosyl-beta-(1->4)-delta-glucoseHMDB
4 O beta D Glucopyranosyl D glucopyranoseHMDB
4-O-beta-D-Glucopyranosyl-D-glucopyranoseHMDB
b-CellobioseHMDB
Β-cellobioseHMDB
CELLOBIOSEChEBI
Chemical FormulaC12H22O11
Average Molecular Weight342.2965
Monoisotopic Molecular Weight342.116211546
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number528-50-7
SMILESNot Available
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
InChI KeyGUBGYTABKSRVRQ-QRZGKKJRSA-N
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
Ontology
StatusDetected but not Quantified
Origin
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point229 - 230 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility111.0 mg/mL at 15 °CNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Intestine
  • Liver
  • Mammary Gland
  • Ruminal Fluid
  • Spleen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
IntestineExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
SpleenExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0000055
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB007497
KNApSAcK IDC00001134
Chemspider ID10261
KEGG Compound IDC06422
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCellobiose
METLIN ID3480
PubChem Compound10712
PDB IDNot Available
ChEBI ID36217
References
Synthesis ReferenceMachida, 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
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available