NAV

Mannose

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
3D
Similar Structures
Weight
Average: 180.1559
Monoisotopic: 180.063388116
Chemical Formula
C6H12O6
Synonyms
  • D-mannose
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
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 / 7z6t / 8wbv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4TerminatedTreatmentUrinary Tract Infection1
2, 3TerminatedPreventionUrinary Tract Infection1
1WithdrawnTreatmentCancer / Fever / Hematologic Disease and Disorders / Neutropenia1
1, 2Unknown StatusTreatmentMannose Phosphate Isomerase Deficiency1
Not AvailableTerminatedBasic 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)12.26Chemaxon
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-MSsplash10-06xx-9700000000-ceca0a9339feb50332b7
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/MSsplash10-01ot-5900000000-0940a1f872a2239e38bd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0abi-9300000000-dbcb6583a964fa1fc2b7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-9000000000-319b57bafe46c17da0cb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-9100000000-ace06491cf6738e3ef0c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-f2d71abe6a8444945c9b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ox-9000000000-7323ccf8748db848423d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-141.8518761
predicted
DarkChem Lite v0.1.0
[M-H]-139.6551761
predicted
DarkChem Lite v0.1.0
[M-H]-141.3379761
predicted
DarkChem Lite v0.1.0
[M-H]-136.24312
predicted
DeepCCS 1.0 (2019)
[M+H]+145.2427761
predicted
DarkChem Lite v0.1.0
[M+H]+142.8902761
predicted
DarkChem Lite v0.1.0
[M+H]+142.5863761
predicted
DarkChem Lite v0.1.0
[M+H]+138.63869
predicted
DeepCCS 1.0 (2019)
[M+Na]+141.0624761
predicted
DarkChem Lite v0.1.0
[M+Na]+139.1495761
predicted
DarkChem Lite v0.1.0
[M+Na]+141.4952761
predicted
DarkChem Lite v0.1.0
[M+Na]+145.1082
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:10 / Updated at May 04, 2023 00:49