NAV

beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose

Identification

Generic Name
beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose
DrugBank Accession Number
DB02743
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 342.2965
Monoisotopic: 342.116211546
Chemical Formula
C12H22O11
Synonyms
  • 4-O-β-D-galactopyranosyl-β-D-galactopyranose
  • Galactobiose
  • β-D-galactopyranosyl-(1→4)-β-D-galactopyranose
  • β-D-Galp-(1→4)-β-D-Galp
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UArabinogalactan endo-1,4-beta-galactosidaseNot AvailableBacillus licheniformis (strain DSM 13 / ATCC 14580)
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound 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.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
O-glycosyl compounds
Alternative Parents
Disaccharides / Oxanes / Secondary alcohols / Hemiacetals / Polyols / Oxacyclic compounds / Acetals / Primary alcohols / Hydrocarbon derivatives
Substituents
Acetal / Alcohol / Aliphatic heteromonocyclic compound / Disaccharide / Hemiacetal / Hydrocarbon derivative / O-glycosyl compound / Organoheterocyclic compound / Oxacycle / Oxane
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
beta-D-galactopyranosyl-(1->4)-D-galactopyranose (CHEBI:41034)
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
Not Available
InChI Key
GUBGYTABKSRVRQ-WWZHPTPQSA-N
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
IUPAC Name
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol
SMILES
[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O

References

General References
Not Available
PubChem Compound
448925
PubChem Substance
46505757
ChemSpider
395581
ChEBI
41034
ZINC
ZINC000016051576
PDB Entries
1ur4 / 2ccr / 2j74 / 6ik6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility586.0 mg/mLALOGPS
logP-3ALOGPS
logP-4.7Chemaxon
logS0.23ALOGPS
pKa (Strongest Acidic)11.25Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count8Chemaxon
Polar Surface Area189.53 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity68.34 m3·mol-1Chemaxon
Polarizability30.94 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r5-0907000000-834cb065654acb2a5261
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-2297000000-fe8f810a75c74c67fc24
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-02bg-2946000000-d2b885f3222fd86eccc8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufu-4193000000-c5a67afae49d3c7e28f4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0hti-9781000000-46fe030a29e7dd0e6297
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9200000000-b450e922ea07c4fa67b4
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-171.0242044
predicted
DarkChem Lite v0.1.0
[M-H]-172.79794
predicted
DeepCCS 1.0 (2019)
[M+H]+169.8322044
predicted
DarkChem Lite v0.1.0
[M+H]+174.90248
predicted
DeepCCS 1.0 (2019)
[M+Na]+169.0482044
predicted
DarkChem Lite v0.1.0
[M+Na]+180.6741
predicted
DeepCCS 1.0 (2019)

Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock new
insights and accelerate drug research.
Learn more
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
Learn more
Details1. Arabinogalactan endo-1,4-beta-galactosidase
Kind
Protein
Organism
Bacillus licheniformis (strain DSM 13 / ATCC 14580)
Pharmacological action
Unknown
General Function
Metal ion binding
Specific Function
Hydrolyzes the beta-1,4-galactan linkages of arabinogalactan type I, a pectic substance found in plants such as soybeans.
Gene Name
ganB
Uniprot ID
Q65CX5
Uniprot Name
Arabinogalactan endo-beta-1,4-galactanase
Molecular Weight
46224.425 Da

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52