beta-D-galactose 6-phosphate
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Identification
- Generic Name
- beta-D-galactose 6-phosphate
- DrugBank Accession Number
- DB02312
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 260.1358
Monoisotopic: 260.029718526 - Chemical Formula
- C6H13O9P
- Synonyms
- 6-O-phosphono-β-D-galactopyranose
- beta-galactose-6-phosphate
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism U6-phospho-beta-galactosidase Not Available Lactococcus lactis subsp. lactis - 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Hexose phosphates
- Alternative Parents
- Monosaccharide phosphates / Monoalkyl phosphates / Oxanes / Secondary alcohols / Hemiacetals / Polyols / Oxacyclic compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Hemiacetal / Hexose phosphate / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate / Organic oxide / Organic phosphoric acid derivative
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- D-galactopyranose 6-phosphate (CHEBI:41076)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- NBSCHQHZLSJFNQ-FPRJBGLDSA-N
- InChI
- InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
- IUPAC Name
- {[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid
- SMILES
- O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O
References
Clinical Trials
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
Property Value Source Water Solubility 31.4 mg/mL ALOGPS logP -2.1 ALOGPS logP -3.1 Chemaxon logS -0.92 ALOGPS pKa (Strongest Acidic) 1.22 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 156.91 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 46.8 m3·mol-1 Chemaxon Polarizability 20.98 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0005-9740000000-a6e81224fb97751dc2e6 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-9000000000-5f040f2916593a464266 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-9010000000-84a5be0eae6c94fde0ee Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000t-9200000000-2d4cb1098f818bcf18be Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-a50f29fe6db850942da3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000t-9200000000-c19c370b1f9481bd37fc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-4f7c75bb721ac148a7fa Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 142.5583 predictedDeepCCS 1.0 (2019) [M+H]+ 144.95387 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.66878 predictedDeepCCS 1.0 (2019)
Targets
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1. Details6-phospho-beta-galactosidase
- Kind
- Protein
- Organism
- Lactococcus lactis subsp. lactis
- Pharmacological action
- Unknown
- General Function
- 6-phospho-beta-galactosidase activity
- Specific Function
- Not Available
- Gene Name
- lacG
- Uniprot ID
- P11546
- Uniprot Name
- 6-phospho-beta-galactosidase
- Molecular Weight
- 54072.005 Da
References
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:14