RefMet Compound Details

RefMet IDRM0162074
MW structure38281 (View MW Metabolite Database details)
RefMet nameNicotinuric acid
Systematic name2-(pyridin-3-ylformamido)acetic acid
SMILESc1cc(cnc1)C(=O)NCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass180.053493 (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
FormulaC8H8N2O3View other entries in RefMet with this formula
InChIInChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
InChIKeyZBSGKPYXQINNGF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassPyridine alkaloids
Sub ClassNicotinic acid alkaloids
Pubchem CID68499
ChEBI ID7563
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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