Alpha-D-Galactose-1-Phosphate
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Identification
- Generic Name
- Alpha-D-Galactose-1-Phosphate
- DrugBank Accession Number
- DB02317
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 260.1358
Monoisotopic: 260.029718526 - Chemical Formula
- C6H13O9P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UBeta-phosphoglucomutase Not Available Lactococcus lactis subsp. lactis (strain IL1403) - 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
Pathway Category Galactose Metabolism Metabolic Lactose Synthesis Metabolic Galactosemia Disease Galactosemia II (GALK) Disease GLUT-1 Deficiency Syndrome Disease Nucleotide Sugars Metabolism Metabolic Galactosemia III Disease Congenital Disorder of Glycosylation CDG-IId Disease - 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 monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Monosaccharide phosphates
- Alternative Parents
- Hexoses / Monoalkyl phosphates / Oxanes / Secondary alcohols / Polyols / Oxacyclic compounds / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Hexose monosaccharide / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate / Organic oxide / Organic phosphoric acid derivative / Organoheterocyclic compound
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- D-galactopyranose 1-phosphate, alpha-D-hexose 1-phosphate (CHEBI:17973)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4Z9Z6N3GH4
- CAS number
- 2255-14-3
- InChI Key
- HXXFSFRBOHSIMQ-FPRJBGLDSA-N
- InChI
- InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
- IUPAC Name
- {[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
- SMILES
- OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000645
- KEGG Compound
- C00446
- PubChem Compound
- 123912
- PubChem Substance
- 46508735
- ChemSpider
- 110443
- ChEBI
- 17973
- ZINC
- ZINC000004096092
- PDBe Ligand
- GL1
- PDB Entries
- 1z4n / 1z4o
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 32.3 mg/mL ALOGPS logP -2 ALOGPS logP -3.1 Chemaxon logS -0.91 ALOGPS pKa (Strongest Acidic) 1.16 Chemaxon pKa (Strongest Basic) -3 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 20.62 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
Property Value Probability Human Intestinal Absorption - 0.9872 Blood Brain Barrier + 0.8276 Caco-2 permeable - 0.7291 P-glycoprotein substrate Non-substrate 0.6877 P-glycoprotein inhibitor I Non-inhibitor 0.8008 P-glycoprotein inhibitor II Non-inhibitor 0.99 Renal organic cation transporter Non-inhibitor 0.909 CYP450 2C9 substrate Non-substrate 0.7999 CYP450 2D6 substrate Non-substrate 0.8332 CYP450 3A4 substrate Non-substrate 0.5878 CYP450 1A2 substrate Non-inhibitor 0.917 CYP450 2C9 inhibitor Non-inhibitor 0.9071 CYP450 2D6 inhibitor Non-inhibitor 0.9231 CYP450 2C19 inhibitor Non-inhibitor 0.9026 CYP450 3A4 inhibitor Non-inhibitor 0.9692 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9751 Ames test Non AMES toxic 0.7654 Carcinogenicity Non-carcinogens 0.917 Biodegradation Ready biodegradable 0.7227 Rat acute toxicity 2.0534 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9038 hERG inhibition (predictor II) Non-inhibitor 0.8874
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 158.1842446 predictedDarkChem Lite v0.1.0 [M-H]- 156.6993446 predictedDarkChem Lite v0.1.0 [M-H]- 155.8434446 predictedDarkChem Lite v0.1.0 [M-H]- 140.81091 predictedDeepCCS 1.0 (2019) [M+H]+ 157.7136446 predictedDarkChem Lite v0.1.0 [M+H]+ 155.7744446 predictedDarkChem Lite v0.1.0 [M+H]+ 155.9257446 predictedDarkChem Lite v0.1.0 [M+H]+ 143.20647 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.8340446 predictedDarkChem Lite v0.1.0 [M+Na]+ 155.8899446 predictedDarkChem Lite v0.1.0 [M+Na]+ 155.1324446 predictedDarkChem Lite v0.1.0 [M+Na]+ 150.3163 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsBeta-phosphoglucomutase
- Kind
- Protein
- Organism
- Lactococcus lactis subsp. lactis (strain IL1403)
- Pharmacological action
- Unknown
- General Function
- Magnesium ion binding
- Specific Function
- Catalyzes the interconversion of D-glucose 1-phosphate (G1P) and D-glucose 6-phosphate (G6P), forming beta-D-glucose 1,6-(bis)phosphate (beta-G16P) as an intermediate. The beta-phosphoglucomutase (...
- Gene Name
- pgmB
- Uniprot ID
- P71447
- Uniprot Name
- Beta-phosphoglucomutase
- Molecular Weight
- 24208.37 Da
References
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:14