Record Information
Version1.0
Creation date2011-09-21 00:23:42 UTC
Update date2015-10-09 22:32:51 UTC
Primary IDFDB023041
Secondary Accession NumbersNot Available
Chemical Information
FooDB 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
Predicted PropertiesNot Available
Chemical FormulaC6H5NO3
IUPAC name
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
Classification
ClassificationNot classified
Ontology
Disposition

Biological location:

Source:

Process

Naturally occurring process:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID65756
ChEMBL IDCHEMBL95293
KEGG Compound IDC01020
Pubchem Compound ID72924
Pubchem Substance IDNot Available
ChEBI ID16168
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02658
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference