Record Information
Version1.0
Creation date2011-09-21 00:04:20 UTC
Update date2015-10-09 22:30:36 UTC
Primary IDFDB021874
Secondary Accession NumbersNot Available
Chemical Information
FooDB 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
Predicted PropertiesNot Available
Chemical FormulaC8H9NO4
IUPAC name
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
Classification
ClassificationNot classified
Ontology
Disposition

Source:

Biological location:

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 ID6467
ChEMBL IDNot Available
KEGG Compound IDC00847
Pubchem Compound ID6723
Pubchem Substance IDNot Available
ChEBI ID17405
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00017
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID36190
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
Pathways
NameSMPDB LinkKEGG Link
Vitamin B6 MetabolismSMP00017 map00750
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference