RefMet Compound Details

MW structure37754 (View MW Metabolite Database details)
RefMet nameN-Acetyl-D-glucosamine 1-phosphate
Systematic name{[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
SMILESCC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](CO)OC1OP(=O)(O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass301.056272 (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
FormulaC8H16NO9PView other entries in RefMet with this formula
InChIInChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?
/m1/s1
InChIKeyFZLJPEPAYPUMMR-RTRLPJTCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassAmino sugars
Pubchem CID440272
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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