Fructose -6-Phosphate
Identification
- Name
- Fructose -6-Phosphate
- Accession Number
- DB04277
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Fructose -6-Phosphate (DB04277)
- Weight
- Average: 260.1358
Monoisotopic: 260.029718526 - Chemical Formula
- C6H13O9P
- Synonyms
- Not Available
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UGlucosamine-6-phosphate deaminase 1 Not Available Bacillus subtilis (strain 168) - 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
Learn about our commercial Adverse Effects data.
Learn More- 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
- 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 / Beta-hydroxy ketones / Acyloins / Alpha-hydroxy ketones / Secondary alcohols / Polyols / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Acyloin / Alcohol / Aliphatic acyclic compound / Alkyl phosphate / Alpha-hydroxy ketone / Beta-hydroxy ketone / Carbonyl group / Hexose phosphate / Hydrocarbon derivative / Ketone
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- D-tagatose 6-phosphate (CHEBI:47947)
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- GSXOAOHZAIYLCY-PBXRRBTRSA-N
- InChI
- InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m1/s1
- IUPAC Name
- {[(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl]oxy}phosphonic acid
- SMILES
- OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O
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 23.2 mg/mL ALOGPS logP -1.9 ALOGPS logP -3.4 ChemAxon logS -1 ALOGPS pKa (Strongest Acidic) 1.49 ChemAxon pKa (Strongest Basic) -3.3 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 48.43 m3·mol-1 ChemAxon Polarizability 20.69 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 - 0.9397 Blood Brain Barrier + 0.8002 Caco-2 permeable - 0.7626 P-glycoprotein substrate Non-substrate 0.6441 P-glycoprotein inhibitor I Non-inhibitor 0.8533 P-glycoprotein inhibitor II Non-inhibitor 0.9303 Renal organic cation transporter Non-inhibitor 0.945 CYP450 2C9 substrate Non-substrate 0.8267 CYP450 2D6 substrate Non-substrate 0.8386 CYP450 3A4 substrate Non-substrate 0.6574 CYP450 1A2 substrate Non-inhibitor 0.8961 CYP450 2C9 inhibitor Non-inhibitor 0.8982 CYP450 2D6 inhibitor Non-inhibitor 0.915 CYP450 2C19 inhibitor Non-inhibitor 0.8741 CYP450 3A4 inhibitor Non-inhibitor 0.9173 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9785 Ames test Non AMES toxic 0.8776 Carcinogenicity Non-carcinogens 0.7013 Biodegradation Ready biodegradable 0.6381 Rat acute toxicity 2.0646 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.952 hERG inhibition (predictor II) Non-inhibitor 0.8632
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Hydrolase activity
- Specific Function
- Catalyzes the reversible isomerization-deamination of glucosamine 6-phosphate (GlcN6P) to form fructose 6-phosphate (Fru6P) and ammonium ion.
- Gene Name
- nagB
- Uniprot ID
- O35000
- Uniprot Name
- Glucosamine-6-phosphate deaminase 1
- Molecular Weight
- 26991.065 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]
Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52