BMRB

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

Wikipedia:

Graphical representations:

nicotinuric acid image

Molecular Formula: C8 H8 N2 O3

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)

canonical and isomeric SMILES: C1=CC(=CN=C1)C(=O)NCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
2-(pyridine-3-carbonylamino)acetic acid

PUBCHEM iupac TRADITIONAL NAME
nicotinuric acid

PUBCHEM iupac CAS NAME
2-[[oxo(3-pyridyl)methyl]amino]acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(pyridin-3-ylcarbonylamino)ethanoic acid

PubChem Substance (SID):   111677843   24897709
PubChem Compound (CID):   68499
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich N4751_SIGMA   MMCD cq_03000   MDL MFCD00023578

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.