D-Mannose 1-phosphate
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Identification
- Generic Name
- D-Mannose 1-phosphate
- DrugBank Accession Number
- DB02867
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 260.1358
Monoisotopic: 260.029718526 - Chemical Formula
- C6H13O9P
- Synonyms
- D-Mannose 1-phosphate
- D-mannose 1-phosphates
- Mannose 1-phosphate
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UPhosphomannomutase/phosphoglucomutase Not Available Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) - 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
Pathway Category Fructose and Mannose Degradation Metabolic Fructosuria Disease Fructose Intolerance, Hereditary Disease - 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
- Hexoses / Monoalkyl phosphates / Oxanes / Secondary alcohols / Polyols / Oxacyclic compounds / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Hexose monosaccharide / Hydrocarbon derivative / Monoalkyl phosphate / Monosaccharide phosphate / Organic oxide / Organic phosphoric acid derivative / Organoheterocyclic compound
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- mannose phosphate (CHEBI:35374)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 27251-84-9
- InChI Key
- HXXFSFRBOHSIMQ-QTVWNMPRSA-N
- InChI
- InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1
- IUPAC Name
- {[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
- SMILES
- OC[C@H]1OC(OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
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 32.3 mg/mL ALOGPS logP -2 ALOGPS logP -3.1 Chemaxon logS -0.91 ALOGPS pKa (Strongest Acidic) 1.16 Chemaxon pKa (Strongest Basic) -3 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 20.98 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 - 0.9872 Blood Brain Barrier + 0.8276 Caco-2 permeable - 0.7291 P-glycoprotein substrate Non-substrate 0.6877 P-glycoprotein inhibitor I Non-inhibitor 0.8008 P-glycoprotein inhibitor II Non-inhibitor 0.99 Renal organic cation transporter Non-inhibitor 0.909 CYP450 2C9 substrate Non-substrate 0.7999 CYP450 2D6 substrate Non-substrate 0.8332 CYP450 3A4 substrate Non-substrate 0.5878 CYP450 1A2 substrate Non-inhibitor 0.917 CYP450 2C9 inhibitor Non-inhibitor 0.9071 CYP450 2D6 inhibitor Non-inhibitor 0.9231 CYP450 2C19 inhibitor Non-inhibitor 0.9026 CYP450 3A4 inhibitor Non-inhibitor 0.9692 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9751 Ames test Non AMES toxic 0.7654 Carcinogenicity Non-carcinogens 0.917 Biodegradation Ready biodegradable 0.7227 Rat acute toxicity 2.0534 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9038 hERG inhibition (predictor II) Non-inhibitor 0.8874
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 149.1721446 predictedDarkChem Lite v0.1.0 [M-H]- 153.8921446 predictedDarkChem Lite v0.1.0 [M-H]- 139.23338 predictedDeepCCS 1.0 (2019) [M+H]+ 149.9654446 predictedDarkChem Lite v0.1.0 [M+H]+ 149.9616446 predictedDarkChem Lite v0.1.0 [M+H]+ 141.62895 predictedDeepCCS 1.0 (2019) [M+Na]+ 148.6197446 predictedDarkChem Lite v0.1.0 [M+Na]+ 147.8732446 predictedDarkChem Lite v0.1.0 [M+Na]+ 148.64456 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsPhosphomannomutase/phosphoglucomutase
- Kind
- Protein
- Organism
- Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
- Pharmacological action
- Unknown
- General Function
- Phosphomannomutase activity
- Specific Function
- Highly reversible phosphoryltransferase. The phosphomannomutase activity produces a precursor for alginate polymerization, the alginate layer causes a mucoid phenotype and provides a protective bar...
- Gene Name
- algC
- Uniprot ID
- P26276
- Uniprot Name
- Phosphomannomutase/phosphoglucomutase
- Molecular Weight
- 50295.09 Da
References
Drug created at June 13, 2005 13:24 / Updated at September 28, 2023 05:40