General
Preferred name
PD124003
Synonyms
6-Hydroxynicotinic acid ()
P&D ID
PD124003
CAS
5006-66-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 6-Hydroxynicotinic acid is an endogenous metabolite.
PRICE 29
DESCRIPTION 6-Hydroxynicotinic acid (6-Hydroxypyridine-3-carboxylic acid) 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.
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-W001996
Selleckchem Bioactive Compound Library
6-hydroxynicotinic-acid
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
139.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.49
TPSA
70.42
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Drug intermediate
Endogenous Metabolite
Pathway
Anti-infection
Metabolic Enzyme/Protease
Source data