RefMet Compound Details

MW structure37027 (View MW Metabolite Database details)
RefMet name4-Pyridoxic acid
Systematic name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
SMILESCc1c(c(c(cn1)CO)C(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass183.053159 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H9NO4View other entries in RefMet with this formula
InChIKeyHXACOUQIXZGNBF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassNicotinic acid alkaloids
Sub ClassPyridine alkaloids
Pubchem CID6723
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 4-Pyridoxic acid

Rxn IDKEGG ReactionEnzyme
R01709 Pyridoxal + Oxygen + H2O <=> 4-Pyridoxate + Hydrogen peroxidepyridoxal:oxygen 4-oxidoreductase

Table of KEGG human pathways containing 4-Pyridoxic acid

Pathway IDHuman Pathway# of reactions
hsa00750 Vitamin B6 metabolism 1