Mannose

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Mannose
Accession Number
DB12907
Type
Small Molecule
Groups
Investigational
Description

Mannose is under investigation for the basic science of IUGR and Pregnancy.

Structure
Thumb
Synonyms
  • D-mannose
Categories
UNII
PHA4727WTP
CAS number
3458-28-4
Weight
Average: 180.1559
Monoisotopic: 180.063388116
Chemical Formula
C6H12O6
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

Pharmacology

Indication
Not Available
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
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

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0062473
PubChem Compound
161658
PubChem Substance
347829059
ChemSpider
141983
RxNav
6633
ChEBI
37675
ZINC
ZINC000002556396
PDBe Ligand
DNO
Wikipedia
Mannose
PDB Entries
2wku / 2wl5 / 3bdk

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1WithdrawnTreatmentFevers / Hematologic Diseases / Malignancies / Neutropenia1
1, 2RecruitingTreatmentCDG Ib1
2, 3RecruitingPreventionUrinary Tract Infection1
4RecruitingTreatmentUrinary Tract Infection1
Not AvailableSuspendedBasic ScienceIUGR / Pregnancy1

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
PropertyValueSource
Water Solubility261.0 mg/mLALOGPS
logP-2.4ALOGPS
logP-3.6ChemAxon
logS0.16ALOGPS
pKa (Strongest Acidic)11.8ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.35 m3·mol-1ChemAxon
Polarizability16.24 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-066s-0931000000-a6d20a22e7387a4442d1
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0ktb-0921000000-6e8559fa9fc1e60df426
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Hexose monosaccharide / Medium-chain aldehyde / Beta-hydroxy aldehyde / Alpha-hydroxyaldehyde / Secondary alcohol / Polyol / Organic oxide / Hydrocarbon derivative / Primary alcohol / Carbonyl group
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
D-mannose, aldehydo-mannose (CHEBI:37675)

Drug created on October 20, 2016 19:10 / Updated on June 12, 2020 10:53

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