Arabinose-5-phosphate
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Identification
- Generic Name
- Arabinose-5-phosphate
- DrugBank Accession Number
- DB03745
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 232.1257
Monoisotopic: 232.034803904 - Chemical Formula
- C5H13O8P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism U2-dehydro-3-deoxyphosphooctonate aldolase Not Available Aquifex aeolicus (strain VF5) URibose-5-phosphate isomerase A Not Available Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) - 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.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 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
- Pentoses / Monoalkyl phosphates / Secondary alcohols / Polyols / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic acyclic compound / Alkyl phosphate / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate / Organic oxide / Organic phosphoric acid derivative / Pentose monosaccharide / Phosphoric acid ester
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- VJDOAZKNBQCAGE-WDCZJNDASA-N
- InChI
- InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1
- IUPAC Name
- {[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]oxy}phosphonic acid
- SMILES
- [H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5287584
- PubChem Substance
- 46505192
- ChemSpider
- 4449917
- ZINC
- ZINC000003871578
- PDBe Ligand
- A5P
- PDB Entries
- 1fww / 1fxq / 1fy6 / 1lrq / 1t8x / 1uj6 / 2a2i / 2cxp / 2ef9 / 2nws … show 6 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 28.5 mg/mL ALOGPS logP -2.1 ALOGPS logP -3.2 Chemaxon logS -0.91 ALOGPS pKa (Strongest Acidic) 1.49 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 147.68 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 43.31 m3·mol-1 Chemaxon Polarizability 18.82 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 - 0.9162 Blood Brain Barrier + 0.6811 Caco-2 permeable - 0.7414 P-glycoprotein substrate Non-substrate 0.6939 P-glycoprotein inhibitor I Non-inhibitor 0.853 P-glycoprotein inhibitor II Non-inhibitor 0.9348 Renal organic cation transporter Non-inhibitor 0.9303 CYP450 2C9 substrate Non-substrate 0.8396 CYP450 2D6 substrate Non-substrate 0.8305 CYP450 3A4 substrate Non-substrate 0.6527 CYP450 1A2 substrate Non-inhibitor 0.8969 CYP450 2C9 inhibitor Non-inhibitor 0.8915 CYP450 2D6 inhibitor Non-inhibitor 0.9128 CYP450 2C19 inhibitor Non-inhibitor 0.8652 CYP450 3A4 inhibitor Non-inhibitor 0.9562 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9723 Ames test Non AMES toxic 0.8835 Carcinogenicity Non-carcinogens 0.6843 Biodegradation Not ready biodegradable 0.6044 Rat acute toxicity 2.0062 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9016 hERG inhibition (predictor II) Non-inhibitor 0.8487
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

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- Kind
- Protein
- Organism
- Aquifex aeolicus (strain VF5)
- Pharmacological action
- Unknown
- General Function
- 3-deoxy-8-phosphooctulonate synthase activity
- Specific Function
- Not Available
- Gene Name
- kdsA
- Uniprot ID
- O66496
- Uniprot Name
- 2-dehydro-3-deoxyphosphooctonate aldolase
- Molecular Weight
- 29734.17 Da
References
2. DetailsRibose-5-phosphate isomerase A
- Kind
- Protein
- Organism
- Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
- Pharmacological action
- Unknown
- General Function
- Ribose-5-phosphate isomerase activity
- Specific Function
- Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
- Gene Name
- rpiA
- Uniprot ID
- Q5SIR5
- Uniprot Name
- Ribose-5-phosphate isomerase A
- Molecular Weight
- 24066.72 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52