Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Nicotinuric Acid

Nicotinuric_acid synonyms

Nicotinuric acid; Nicotinylglycine


Graphical representations:


View large 3D structure

Molecular Formula: C8H8N2O3

Natural Isotopic Abundance Mass: 180.16072

Mono-Isotopic Molecular Masses:

  • C12N14: 180.0534921335
  • C13N14: 188.0803308359
  • C12N15: 182.0475619199
  • C13N15: 190.0744006223

InChI string: InChI=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)

PubChem Compound (CID): 68499
Sigma-Aldrich: N4751_SIGMA
MMCD: cq_03000
MDL: MFCD00023578

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,