beta-D-glucose 6-phosphate
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Identification
- Generic Name
- beta-D-glucose 6-phosphate
- DrugBank Accession Number
- DB04122
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 260.1358
Monoisotopic: 260.029718526 - Chemical Formula
- C6H13O9P
- Synonyms
- 6-H2PO3Glcβ
- 6-O-phosphono-β-D-glucopyranose
- beta-D-glucose 6-(dihydrogen phosphate)
- beta-D-Glucose 6-phosphic acid
- beta-D-glucose-6-phosphate
- β-D-glucose 6-phosphate
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UGlucose-6-phosphate 1-dehydrogenase Not Available Leuconostoc mesenteroides - 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-glucopyranose 6-phosphate (CHEBI:17719)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- G6FRT62N3J
- CAS number
- 15209-12-8
- InChI Key
- NBSCHQHZLSJFNQ-VFUOTHLCSA-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,3S,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
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0003498
- KEGG Compound
- C01172
- PubChem Compound
- 439427
- PubChem Substance
- 46504781
- ChemSpider
- 388538
- BindingDB
- 50373066
- ChEBI
- 17719
- ChEMBL
- CHEMBL257975
- ZINC
- ZINC000003875374
- PDBe Ligand
- BG6
- PDB Entries
- 1e77 / 1e7y / 2bhl / 2cir / 2nzt / 2nzu / 2poc / 2puw / 2q8m / 2wf5 … show 35 more
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 20.96 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 1H NMR Spectrum 1D NMR Not Applicable 13C NMR Spectrum 1D NMR Not Applicable 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]- 154.8163446 predictedDarkChem Lite v0.1.0 [M-H]- 140.86313 predictedDeepCCS 1.0 (2019) [M+H]+ 152.1917446 predictedDarkChem Lite v0.1.0 [M+H]+ 143.2587 predictedDeepCCS 1.0 (2019) [M+Na]+ 152.2207446 predictedDarkChem Lite v0.1.0 [M+Na]+ 149.8976 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsGlucose-6-phosphate 1-dehydrogenase
- Kind
- Protein
- Organism
- Leuconostoc mesenteroides
- Pharmacological action
- Unknown
- General Function
- Nadp binding
- Specific Function
- Catalyzes the oxidation of glucose 6-phosphate to 6-phosphogluconolactone. Can utilize either NADP(+) or NAD(+).
- Gene Name
- zwf
- Uniprot ID
- P11411
- Uniprot Name
- Glucose-6-phosphate 1-dehydrogenase
- Molecular Weight
- 54440.585 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52