RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0157182
RefMet nameN-Acetyl-beta-glucosaminylamine
Systematic nameN-[(2R,3R,4R,5S,6R)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SynonymsPubChem Synonyms
Exact mass220.105923 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H16N2O5View other entries in RefMet with this formula
Molecular descriptors
Molfile37602 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyMCGXOCXFFNKASF-FMDGEEDCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1N)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassAmino sugars
Distribution of N-Acetyl-beta-glucosaminylamine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting N-Acetyl-beta-glucosaminylamine
External Links
Pubchem CID439454
ChEBI ID15947
KEGG IDC01239
HMDB IDHMDB0001104
Chemspider ID388560
MetaCyc IDN-ACETYL-BETA-GLUCOSAMINYLAMINE
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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