This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Mannose
- DrugBank Accession Number
- DB12907
- Background
Mannose is under investigation for the basic science of IUGR and Pregnancy.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Mannose (DB12907)
- Weight
- Average: 180.1559
Monoisotopic: 180.063388116 - Chemical Formula
- C6H12O6
- Synonyms
- D-mannose
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Hexoses
- Alternative Parents
- Medium-chain aldehydes / Beta-hydroxy aldehydes / Alpha-hydroxyaldehydes / Secondary alcohols / Polyols / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aldehyde / Aliphatic acyclic compound / Alpha-hydroxyaldehyde / Beta-hydroxy aldehyde / Carbonyl group / Hexose monosaccharide / Hydrocarbon derivative / Medium-chain aldehyde / Organic oxide
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- D-mannose, aldehydo-mannose (CHEBI:37675)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- PHA4727WTP
- CAS number
- 3458-28-4
- InChI Key
- GZCGUPFRVQAUEE-KVTDHHQDSA-N
- InChI
- InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1
- IUPAC Name
- (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
- SMILES
- [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0062473
- PubChem Compound
- 161658
- PubChem Substance
- 347829059
- ChemSpider
- 141983
- 6633
- ChEBI
- 37675
- ZINC
- ZINC000002556396
- PDBe Ligand
- DNO
- Wikipedia
- Mannose
- PDB Entries
- 2wku / 2wl5 / 3bdk / 7z6t
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Terminated Treatment Urinary Tract Infection 1 2, 3 Terminated Prevention Urinary Tract Infection 1 1 Withdrawn Treatment Cancer / Fever / Hematologic Disease and Disorders / Neutropenia 1 1, 2 Unknown Status Treatment Mannose Phosphate Isomerase Deficiency 1 Not Available Terminated Basic Science IUGR / Pregnancy 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 261.0 mg/mL ALOGPS logP -2.4 ALOGPS logP -3.6 Chemaxon logS 0.16 ALOGPS pKa (Strongest Acidic) 12.26 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 118.22 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 37.35 m3·mol-1 Chemaxon Polarizability 16.24 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available GC-MS Spectrum - GC-EI-TOF GC-MS splash10-066s-0931000000-a6d20a22e7387a4442d1 GC-MS Spectrum - GC-EI-TOF GC-MS splash10-0ktb-0921000000-6e8559fa9fc1e60df426 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
Drug created at October 21, 2016 01:10 / Updated at May 04, 2023 00:49