Glucosamine 6-Phosphate
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Identification
- Generic Name
- Glucosamine 6-Phosphate
- DrugBank Accession Number
- DB02657
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 259.151
Monoisotopic: 259.045702941 - Chemical Formula
- C6H14NO8P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AGlutamine--fructose-6-phosphate aminotransferase [isomerizing] inhibitorEscherichia coli (strain K12) UN-acetylglucosamine-6-phosphate deacetylase 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
- 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
- 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 / Aminosaccharides / Oxanes / Secondary alcohols / Hemiacetals / 1,2-diols / 1,2-aminoalcohols / Oxacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- 1,2-aminoalcohol / 1,2-diol / Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Amine / Amino saccharide / Hemiacetal / Hexose phosphate / Hydrocarbon derivative show 15 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- 2-amino-2-deoxy-D-glucopyranose 6-phosphate (CHEBI:15873)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Y5ANY8MJ8J
- CAS number
- 3616-42-0
- InChI Key
- XHMJOUIAFHJHBW-UKFBFLRUSA-N
- InChI
- InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
- IUPAC Name
- {[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid
- SMILES
- N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001254
- KEGG Compound
- C00352
- PubChem Compound
- 439217
- PubChem Substance
- 46507552
- ChemSpider
- 388356
- ChEBI
- 15873
- ZINC
- ZINC000004097103
- PDBe Ligand
- GLP
- PDB Entries
- 1moq / 2nz4 / 2ri1 / 2vf5 / 2vhl / 2z75 / 3b4a / 3b4b / 3b4c / 3cxq … show 9 more
Clinical Trials
- Clinical Trials
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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 34.8 mg/mL ALOGPS logP -2.6 ALOGPS logP -4.2 Chemaxon logS -0.87 ALOGPS pKa (Strongest Acidic) 1.22 Chemaxon pKa (Strongest Basic) 8.23 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 162.7 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 48.45 m3·mol-1 Chemaxon Polarizability 21.42 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 - 0.9955 Blood Brain Barrier - 0.753 Caco-2 permeable - 0.6822 P-glycoprotein substrate Non-substrate 0.7772 P-glycoprotein inhibitor I Non-inhibitor 0.8381 P-glycoprotein inhibitor II Non-inhibitor 0.9916 Renal organic cation transporter Non-inhibitor 0.9358 CYP450 2C9 substrate Non-substrate 0.799 CYP450 2D6 substrate Non-substrate 0.8229 CYP450 3A4 substrate Non-substrate 0.6095 CYP450 1A2 substrate Non-inhibitor 0.8659 CYP450 2C9 inhibitor Non-inhibitor 0.8931 CYP450 2D6 inhibitor Non-inhibitor 0.9021 CYP450 2C19 inhibitor Non-inhibitor 0.854 CYP450 3A4 inhibitor Non-inhibitor 0.9652 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.968 Ames test Non AMES toxic 0.6591 Carcinogenicity Non-carcinogens 0.9511 Biodegradation Not ready biodegradable 0.5899 Rat acute toxicity 2.1166 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9304 hERG inhibition (predictor II) Non-inhibitor 0.9233
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 158.7362952 predictedDarkChem Lite v0.1.0 [M-H]- 148.3373952 predictedDarkChem Lite v0.1.0 [M-H]- 148.3989 predictedDeepCCS 1.0 (2019) [M+H]+ 159.1970952 predictedDarkChem Lite v0.1.0 [M+H]+ 150.1445952 predictedDarkChem Lite v0.1.0 [M+H]+ 150.79448 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.9906952 predictedDarkChem Lite v0.1.0 [M+Na]+ 148.5107952 predictedDarkChem Lite v0.1.0 [M+Na]+ 157.66399 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Catalyzes the first step in hexosamine metabolism, converting fructose-6P into glucosamine-6P using glutamine as a nitrogen source.
- Specific Function
- carbohydrate derivative binding
- 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. [Article]
- 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. [Article]
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Involved in the first committed step in the biosynthesis of amino-sugar-nucleotides (PubMed:14557261). Catalyzes the hydrolysis of the N-acetyl group of N-acetylglucosamine-6-phosphate (GlcNAc-6-P) to yield glucosamine 6-phosphate and acetate (PubMed:14557261). Essential for growth on N-acetylglucosamine (PubMed:23667565).
- Specific Function
- iron ion binding
- Gene Name
- nagA
- Uniprot ID
- O34450
- Uniprot Name
- N-acetylglucosamine-6-phosphate deacetylase
- Molecular Weight
- 42621.955 Da
References
Drug created at June 13, 2005 13:24 / Updated at August 26, 2024 19:22