RefMet Compound Details

MW structure38802 (View MW Metabolite Database details)
RefMet nameN-Acetylglutamine
Systematic name4-carbamoyl-2-acetamidobutanoic acid
SMILESCC(=O)NC(CCC(N)=O)C(O)=O
Exact mass188.079708 (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
FormulaC7H12N2O4View other entries in RefMet with this formula
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)
InChIKeyKSMRODHGGIIXDV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID25561
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples
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