1.0 2016-05-22 05:27:49 UTC 2026-08-25 06:10:42 UTC Pyridoxal SmallMolecule Pyridoxal is an organic compound with the formula C8H9NO3 and an average molecular weight of 167.16 g/mol. Pyridoxal belongs to the pyridine carboxaldehydes, a subclass of pyridines and derivatives within the organic compounds. This compound has been identified in or released from 30 recorded sources. Within the category of food, food processing, and cookware, it is associated with fermentation processes for beer, the preparation of malt, food preservation, molasses and treatment of molasses, and agglomerated sugar products, among six other sources. In household cleaning and consumer products, it is found in bleaching agents, ash trays, cigar cigarettes, other smoking requisites, non electric simulated smoking devices, and five additional sources. It is also present in building and construction materials, specifically tents or canopies. Furthermore, it is found in electrical and electronic equipment, including amplifiers, antennas, discharge lamps, electric hearing aids, and conductors or conductive bodies characterised by the conductive materials, along with three other sources. Regarding its biological activity, pyridoxal has one recorded protein target, which is pyridoxal kinase (PDXK). Isopyridoxal C8H9NO3 167.162 167.058243159 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde pyridoxal 66-72-8 CC1=NC=C(CO)C(C=O)=C1O InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 RADKZDMFGJYCBB-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridine carboxaldehydes Pyridoxals and derivatives Aromatic alcohols Aryl-aldehydes Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyridines Methylpyridines Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Vinylogous acids Alcohol Aldehyde Aromatic alcohol Aromatic heteromonocyclic compound Aryl-aldehyde Azacycle Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Methylpyridine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyridoxal Vinylogous acid Aromatic heteromonocyclic compounds Water-soluble vitamins a vitamin B6 hydroxymethylpyridine methylpyridines monohydroxypyridine pyridinecarbaldehyde vitamin B6 Detected and Not Quantified Valine, Leucine, and Isoleucine Degradation SMP0000032 Vitamin B6 Metabolism SMP0000017 beta-Ketothiolase Deficiency SMP0000173 2-Methyl-3-hydroxybutyryl-CoA Dehydrogenase Deficiency SMP0000137 Propionic Acidemia SMP0000236 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency SMP0000138 Maple Syrup Urine Disease SMP0000199 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I SMP0000237 3-Methylglutaconic Aciduria Type I SMP0000139 3-Methylglutaconic Aciduria Type III SMP0000140 Methylmalonate Semialdehyde Dehydrogenase Deficiency SMP0000384 Methylmalonic Aciduria SMP0000200 Isovaleric Aciduria SMP0000238 3-Methylglutaconic Aciduria Type IV SMP0000141 Hypophosphatasia SMP0000503 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency SMP0000521 3-Hydroxyisobutyric Aciduria SMP0000522 Isobutyryl-CoA Dehydrogenase Deficiency SMP0000523 Isovaleric Acidemia SMP0000524 Hypophosphatasia SMP0125622 beta-Ketothiolase Deficiency SMP0125657 2-Methyl-3-hydroxybutyryl-CoA Dehydrogenase Deficiency SMP0125658 Propionic Acidemia SMP0125659 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency SMP0125660 Maple Syrup Urine Disease SMP0125661 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I SMP0125662 3-Methylglutaconic Aciduria Type I SMP0125664 3-Methylglutaconic Aciduria Type III SMP0125667 Methylmalonate Semialdehyde Dehydrogenase Deficiency SMP0125669 Methylmalonic Aciduria SMP0125670 Isovaleric Aciduria SMP0125671 3-Methylglutaconic Aciduria Type IV SMP0125672 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency SMP0125673 3-Hydroxyisobutyric Aciduria SMP0125674 Isobutyryl-CoA Dehydrogenase Deficiency SMP0125675 Isovaleric Acidemia SMP0125676 logp 0.18 logp 0.02 ALOGPS logs -1.16 ALOGPS solubility 1.17e+01 g/l ALOGPS logp 0.18 ChemAxon pka_strongest_acidic 7.97 ChemAxon pka_strongest_basic 4.11 ChemAxon iupac 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde ChemAxon average_mass 167.162 ChemAxon mono_mass 167.058243159 ChemAxon smiles CC1=NC=C(CO)C(C=O)=C1O ChemAxon formula C8H9NO3 ChemAxon inchi InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 ChemAxon inchikey RADKZDMFGJYCBB-UHFFFAOYSA-N ChemAxon polar_surface_area 70.42 ChemAxon refractivity 43.87 ChemAxon polarizability 16.28 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72754a8488> DB00147 1050 1021 BE0000042