RefMet Compound Details

MW structure37862 (View MW Metabolite Database details)
RefMet namePyridoxal
Systematic name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
SMILESCc1[n]cc(CO)c(C=O)c1O
Exact mass167.058244 (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
FormulaC8H9NO3View other entries in RefMet with this formula
InChIInChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
InChIKeyRADKZDMFGJYCBB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPyridine carboxaldehydes
Sub ClassPyridoxals
Pubchem CID1050
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Pyridoxal

Rxn IDKEGG ReactionEnzyme
R01711 Pyridoxine + Oxygen <=> Pyridoxal + Hydrogen peroxidepyridoxine:oxygen oxidoreductase (deaminating)
R00173 Pyridoxal phosphate + H2O <=> Pyridoxal + Orthophosphatepyridoxal-5'-phosphate phosphohydrolase
R01709 Pyridoxal + Oxygen + H2O <=> 4-Pyridoxate + Hydrogen peroxidepyridoxal:oxygen 4-oxidoreductase
R01708 Pyridoxine + NADP+ <=> Pyridoxal + NADPH + H+Pyridoxine:NADP+ 4-oxidoreductase
R01710 Pyridoxamine + H2O + Oxygen <=> Pyridoxal + Ammonia + Hydrogen peroxidepyridoxamine:oxygen oxidoreductase (deaminating)

Table of KEGG human pathways containing Pyridoxal

Pathway IDHuman Pathway# of reactions
hsa00750 Vitamin B6 metabolism 4
hsa00760 Nicotinate and nicotinamide metabolism 1
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