Metabolomics Structure Database

MW REGNO: 67000
Common Name:N-acetyl-D-glucosamine
Systematic Name:2-acetamido-2-deoxy-D-glucopyranose
RefMet Name:N-Acetyl-D-glucosamine
Synonyms:2-Acetamido-2-deoxy-D-glucose; GlcNAc; N-Acetyl-D-glucosamine; N-Acetylchitosamine; N-acetyl-D-glucosamine [PubChem Synonyms]
Exact Mass:
221.0899 (neutral)    Calculate m/z:
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Acylaminosugars [C0000146]
MoNA MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:439174
CHEBI ID:506227
KEGG ID:C00140
Plant Metabolite Hub(Pmhub):MS000001915

Calculated physicochemical properties (?):

Heavy Atoms: 15  
Rings: 1  
Aromatic Rings: 0  
Rotatable Bonds: 2  
van der Waals Molecular volume: 195.70 Å3 molecule-1  
Toplogical Polar Sufrace Area: 121.32 Å2 molecule-1  
Hydrogen Bond Donors: 5  
Hydrogen Bond Acceptors: 6  
logP: -1.36  
Molar Refractivity: 50.63  
Fraction sp3 Carbons: 0.88  
sp3 Carbons: 7  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y