BMRB

Biological Magnetic Resonance Data Bank


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

6-Hydroxynicotinic Acid

Graphical representations:

6-Hydroxynicotinic acid image

Molecular Formula: C6 H5 N O3

Natural Isotopic Abundance Mass: 139.1088

Mono-Isotopic Molecular Masses:

  • C12N14: 139.026943032
  • C13N14: 145.0470720588
  • C12N15: 140.0239779252
  • C13N15: 146.044106952

InCHi String:

canonical and isomeric SMILES: C1=CC(=O)NC=C1C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
6-oxo-1H-pyridine-3-carboxylic acid

PUBCHEM iupac TRADITIONAL NAME
6-keto-1H-pyridine-3-carboxylic acid

PubChem Substance (SID):   85165141   24847874   10411910
PubChem Compound (CID):   72924
KEGG: Compound ID   C01020
CAS Registry IDs:   5006-66-6   4588-15-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 128759_ALDRICH   ChEBI CHEBI:16168   ChemIDplus 005006666   ChemSpider 65756   EINECS 225-682-9   NIST 445494908   ChemDB 6680694

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.