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

6-Hydroxynicotinic Acid bmse000341 - Data

6-Hydroxynicotinic synonyms

3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-; 6-hydroxypyridine-3-carboxylic acid; 2-Pyridone-5-carboxylic acid; 2-Hydroxy-5-pyridinecarboxylic acid; Nicotinic acid, 1,6-dihydro-6-oxo- (8CI); Nicotinic acid, 1,6-dihydro-6-oxo-; 6-Hydroxynicotinate; 1,6-Dihydro-6-oxo-3-pyridinecarboxylic acid; 6-hydroxynicotinate; 6-Hydroxypyridine-3-carboxylic acid

Wikipedia:

Graphical representations:

6-Hydroxynicotinic

View large 3D structure

Molecular Formula: C6H5NO3

Natural Isotopic Abundance Mass: 139.1088

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)

PubChem Compound (CID): 72924
CAS Registry number: 5006-66-6 4588-15-2
Sigma-Aldrich: 128759_ALDRICH
ChEBI: CHEBI:16168
ChemIDplus: 005006666
ChemSpider: 65756
EINECS: 225-682-9
NIST: 445494908
KEGG Compound ID: C01020
ChemDB: 6680694

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, https://www.nature.com/articles/sdata201773)