Record Information
Version1.0
Creation date2015-10-09 22:32:51 UTC
Update date2017-01-19 02:36:37 UTC
FoodComEx IDPC000810
FoodDB RecordFDB023041
Chemical Information
Name6-Hydroxynicotinic acid
Description6-hydroxynicotinic acid (6-OHNA) is exploited in the use of NMR spectroscopy or gas chromatography--mass spectrometry for the diagnosis of Pseudomonas aeruginosa in urinary tract infection. Among the common bacteria causing urinary infection, only P. aeruginosa produces 6-hydroxynicotinic acid from nicotinic acid. Pseudomonas aeruginosa infection has been reported to be the third leading cause of urinary infection, accounting for 11% of such infections, the first and second being Escherichia coli and Klebsiella pneumonia, respectively. Analyses of the NMR spectra of the bacterial media with variable cell count of P. aeruginosa, shows that the intensity of the signals of the 6-hydroxynicotinic acid increases with increasing number of bacterial cells. (PMID: 3926801, 15759292) [HMDB]
CAS Number5006-66-6
Structure
Thumb
Synonyms
SynonymSource
1,6-Dihydro-6-oxo-3-pyridinecarboxylic acidhmdb
1,6-dihydro-6-oxo-Nicotinic acidhmdb
2-Hydroxy-5-carboxypyridinehmdb
2-Hydroxypyridine-5-carboxylic acidhmdb
2-Pyridone-5-carboxylic acidhmdb
5-Carboxy-2-pyridonehmdb
6-hydroxy-Nicotinic acidhmdb
6-Hydroxyniacinhmdb
6-Hydroxynicotinatehmdb
6-Hydroxynicotinic acidhmdb
6-Hydroxypyridine-3-carboxylic acidhmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChI KeyBLHCMGRVFXRYRN-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=CN=C(O)C=C1
Average Molecular Weight139.1088
Monoisotopic Molecular Weight139.026943031
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridinecarboxylic acids and derivatives
Direct ParentPyridinecarboxylic acids
Alternative Parents
Substituents
  • Pyridine carboxylic acid
  • Hydroxypyridine
  • Heteroaromatic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci D817
AKSci HTS001454
AKSci J92523
MetaSci HMDB0002658
Sigma-Aldrich HMDB0002658
Toronto Research Chemicals H948545