Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Quinolinic Acid

Graphical representations:

Quinolinic acid image

Molecular Formula: C7 H5 N O4

Natural Isotopic Abundance Mass: 167.1189000000

Mono-Isotopic Molecular Masses:

  • C12N14: 167.021857654
  • C13N14: 174.045341519
  • C12N15: 168.018892547
  • C13N15: 175.0423764119

InCHi String:

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
pyridine-2,3-dicarboxylic acid

PubChem Substance (SID):   85165030   149970   6487
PubChem Compound (CID):   1066
KEGG: Compound ID   C03722
CAS Registry IDs:   18970-62-2   87314-99-6   89-00-9
PDB Chemical Component   NTM
Miscellaneous Databases and IDs:   CHEBI 16675   EINECS 201-874-8   NSC 13127

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.