Record Information
Version1.0
Creation date2015-10-09 22:30:36 UTC
Update date2017-01-19 02:36:22 UTC
FoodComEx IDPC000415
FoodDB RecordFDB021874
Chemical Information
Name4-Pyridoxic acid
Description4-Pyridoxic acid is the catabolic product of vitamin B6 (also known as pyridoxine, pyridoxal and pyradoxamine) which is excreted in the urine. Urinary levels of 4-pyridoxic acid are lower in females than in males and will be reduced in persons with riboflavin deficiency. 4-Pyridoxic acid is formed by the action of aldehyde oxidase I (an endogenous enzyme) and by microbial enzymes (pyridoxal 4-dehydrogenase), an NAD-dependent aldehyde dehydrogenase. 4-pyridoxic acid can be further broken down by the gut microflora via 4-pyridoxic acid dehydrogenase. This enzyme catalyzes the four electron oxidation of 4-pyridoxic acid to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate, using nicotinamide adenine dinucleotide as a cofactor. [HMDB]
CAS Number82-82-6
Structure
Thumb
Synonyms
SynonymSource
2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridinehmdb
3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylatehmdb
3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acidhmdb
3-hydroxy-5-(hydroxymethyl)-2-methyl-Isonicotinatehmdb
3-hydroxy-5-(hydroxymethyl)-2-methyl-Isonicotinic acidhmdb
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinatehmdb
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acidhmdb
3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinatehmdb
3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acidhmdb
3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeurehmdb
4-Pyridoxatehmdb
4-Pyridoxinatehmdb
4-Pyridoxinecarboxylatehmdb
4-Pyridoxinecarboxylic acidhmdb
4-Pyridoxinic acidhmdb
4-Pyridoxinsaeurehmdb
4-Pyridoxylatehmdb
4-Pyridoxylic acidhmdb
PyridoxateGenerator
Pyridoxic acidChEBI
Chemical FormulaC8H9NO4
IUPAC name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
InChI IdentifierInChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
InChI KeyHXACOUQIXZGNBF-UHFFFAOYSA-N
Isomeric SMILESCC1=NC=C(CO)C(C(O)=O)=C1O
Average Molecular Weight183.1614
Monoisotopic Molecular Weight183.053157781
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
  • Methylpyridine
  • Vinylogous acid
  • Heteroaromatic compound
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Aromatic alcohol
  • Organic nitrogen compound
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxide
  • 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 10 mg
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
MetaSci HMDB0000017
Sigma-Aldrich HMDB0000017
Toronto Research Chemicals P991875