Glucose-6-Phosphate
Identification
- Name
- Glucose-6-Phosphate
- Accession Number
- DB03581
- Description
An ester of glucose with phosphoric acid, made in the course of glucose metabolism by mammalian and other cells. It is a normal constituent of resting muscle and probably is in constant equilibrium with fructose-6-phosphate. (Stedman, 26th ed)
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Glucose-6-Phosphate (DB03581)
- Weight
- Average: 260.1358
Monoisotopic: 260.029718526 - Chemical Formula
- C6H13O9P
- Synonyms
- Not Available
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UGlutamine--fructose-6-phosphate aminotransferase [isomerizing] Not Available Escherichia coli (strain K12) UGlucose-6-phosphate isomerase Not Available Humans - 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- 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 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
- Monoalkyl phosphates / Beta-hydroxy aldehydes / Alpha-hydroxyaldehydes / Secondary alcohols / Polyols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aldehyde / Aliphatic acyclic compound / Alkyl phosphate / Alpha-hydroxyaldehyde / Beta-hydroxy aldehyde / Carbonyl group / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- D-galactose 6-phosphate (CHEBI:17733)
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 56-73-5
- InChI Key
- VFRROHXSMXFLSN-KCDKBNATSA-N
- InChI
- InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6-/m0/s1
- IUPAC Name
- {[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl]oxy}phosphonic acid
- SMILES
- O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](O)C=O
References
- Synthesis Reference
Hitoshi Sagai, Kimiko Hattori, Mamoru Takahashi, "Gene and process of making glucose-6-phosphate dehydrogenase." U.S. Patent US5137821, issued August, 1988.
US5137821- General References
- Not Available
- External Links
- KEGG Compound
- C00092
- PubChem Compound
- 3034794
- PubChem Substance
- 46508559
- ChemSpider
- 2299195
- BindingDB
- 197174
- 1541246
- ChEBI
- 17733
- ZINC
- ZINC000100033330
- PDBe Ligand
- G6Q
- Wikipedia
- Glucose_6-phosphate
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 21.7 mg/mL ALOGPS logP -1.8 ALOGPS logP -3.7 ChemAxon logS -1.1 ALOGPS pKa (Strongest Acidic) 1.49 ChemAxon pKa (Strongest Basic) -3.5 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 6 ChemAxon Polar Surface Area 164.75 Å2 ChemAxon Rotatable Bond Count 7 ChemAxon Refractivity 48.22 m3·mol-1 ChemAxon Polarizability 20.66 Å3 ChemAxon Number of Rings 0 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 - 0.9398 Blood Brain Barrier + 0.8712 Caco-2 permeable - 0.7722 P-glycoprotein substrate Non-substrate 0.6644 P-glycoprotein inhibitor I Non-inhibitor 0.8863 P-glycoprotein inhibitor II Non-inhibitor 0.9504 Renal organic cation transporter Non-inhibitor 0.9504 CYP450 2C9 substrate Non-substrate 0.83 CYP450 2D6 substrate Non-substrate 0.8441 CYP450 3A4 substrate Non-substrate 0.6316 CYP450 1A2 substrate Non-inhibitor 0.9099 CYP450 2C9 inhibitor Non-inhibitor 0.9024 CYP450 2D6 inhibitor Non-inhibitor 0.9125 CYP450 2C19 inhibitor Non-inhibitor 0.8943 CYP450 3A4 inhibitor Non-inhibitor 0.9397 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9802 Ames test Non AMES toxic 0.8295 Carcinogenicity Non-carcinogens 0.726 Biodegradation Ready biodegradable 0.7151 Rat acute toxicity 2.0202 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9696 hERG inhibition (predictor II) Non-inhibitor 0.8889
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key GC-MS Spectrum - GC-MS (1 MEOX; 6 TMS) GC-MS splash10-0f7a-2968100000-32d06d0209e91012d185 GC-MS Spectrum - GC-MS (1 MEOX; 6 TMS) GC-MS splash10-0frj-2966100000-74964dbe57af64bc0edb Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Glutamine-fructose-6-phosphate transaminase (isomerizing) activity
- Specific Function
- Catalyzes the first step in hexosamine metabolism, converting fructose-6P into glucosamine-6P using glutamine as a nitrogen source.
- Gene Name
- glmS
- Uniprot ID
- P17169
- Uniprot Name
- Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
- Molecular Weight
- 66893.7 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ubiquitin protein ligase binding
- Specific Function
- Besides it's role as a glycolytic enzyme, mammalian GPI can function as a tumor-secreted cytokine and an angiogenic factor (AMF) that stimulates endothelial cell motility. GPI is also a neurotrophi...
- Gene Name
- GPI
- Uniprot ID
- P06744
- Uniprot Name
- Glucose-6-phosphate isomerase
- Molecular Weight
- 63146.745 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Transporters
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- May mediate the release of newly synthesized prostaglandins from cells, the transepithelial transport of prostaglandins, and the clearance of prostaglandins from the circulation. Transports PGD2, a...
- Gene Name
- SLCO2A1
- Uniprot ID
- Q92959
- Uniprot Name
- Solute carrier organic anion transporter family member 2A1
- Molecular Weight
- 70043.33 Da
References
- Chan BS, Endo S, Kanai N, Schuster VL: Identification of lactate as a driving force for prostanoid transport by prostaglandin transporter PGT. Am J Physiol Renal Physiol. 2002 Jun;282(6):F1097-102. [PubMed:11997326]
Drug created on June 13, 2005 13:24 / Updated on June 12, 2020 16:52