NAV

N-acetylmannosamine

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

Identification

Generic Name
N-acetylmannosamine
DrugBank Accession Number
DB12536
Background

N-acetylmannosamine is under investigation for the other of GNE Myopathy.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 221.2078
Monoisotopic: 221.089937217
Chemical Formula
C8H15NO6
Synonyms
  • MANNAC
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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
Aminosaccharides / Beta-hydroxy aldehydes / Acetamides / Secondary carboxylic acid amides / Secondary alcohols / Polyols / Primary alcohols / Organopnictogen compounds / Organonitrogen compounds / Organic oxides
show 1 more
Substituents
Acetamide / Alcohol / Aldehyde / Aliphatic acyclic compound / Amino saccharide / Beta-hydroxy aldehyde / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Hexose monosaccharide
show 9 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
X80PR7P73R
CAS number
3615-17-6
InChI Key
MBLBDJOUHNCFQT-WCTZXXKLSA-N
InChI
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1
IUPAC Name
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
SMILES
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(NC(C)=O)C=O

References

General References
Not Available
Human Metabolome Database
HMDB0062500
PubChem Compound
65150
PubChem Substance
347828762
ChemSpider
58659
ChEBI
17122
ZINC
ZINC000002020190
PDBe Ligand
MN9
Wikipedia
N-Acetylmannosamine
PDB Entries
4bwl / 4woz / 6ppz

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentGNE Myopathy1
2CompletedTreatmentGNE Myopathy1
1CompletedTreatmentGNE Myopathy1

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 Solubility148.0 mg/mLALOGPS
logP-2.1ALOGPS
logP-3.9Chemaxon
logS-0.18ALOGPS
pKa (Strongest Acidic)12.09Chemaxon
pKa (Strongest Basic)-1.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area127.09 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity48.45 m3·mol-1Chemaxon
Polarizability20.73 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
GC-MS Spectrum - GC-MS (4 TMS)GC-MSsplash10-00di-1910000000-c54e9f9969c7d963036f
GC-MS Spectrum - GC-MS (1 MEOX; 5 TMS)GC-MSsplash10-0pvi-1951000000-56398608d2dd4355e1f6
GC-MS Spectrum - GC-MS (1 MEOX; 4 TMS)GC-MSsplash10-0kw0-3940000000-02993315f1b1a700b7ec
GC-MS Spectrum - GC-MS (1 MEOX; 5 TMS)GC-MSsplash10-0pvi-2941000000-c2e3ada4d3e27dc6890a
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-03di-9710000000-181bc5f93177bd5bd748
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0w2i-1910000000-c348449eec153b12386e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a5i-9300000000-8cbf53b57cce70732738
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-06z0-9100000000-93524618bac76229090e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9200000000-ccd6228fdfb65b36559e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9100000000-4eede620fa0223ce32d2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-e5ee60861f32fb089d74
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]-151.1130534
predicted
DarkChem Lite v0.1.0
[M-H]-152.79079
predicted
DeepCCS 1.0 (2019)
[M+H]+149.8162534
predicted
DarkChem Lite v0.1.0
[M+H]+155.18658
predicted
DeepCCS 1.0 (2019)
[M+Na]+149.3017534
predicted
DarkChem Lite v0.1.0
[M+Na]+161.63667
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:45 / Updated at June 12, 2020 16:53