Pyridoxal
PubChem CID: 1050
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| Compound Synonyms | pyridoxal, Pyridoxaldehyde, 66-72-8, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde, Piridoxal, 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, EINECS 200-630-8, NSC 19613, CHEBI:17310, BRN 0383768, UNII-3THM379K8A, 3THM379K8A, DTXSID4046020, 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd, PYRIDOXAL [MI], 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde, PYRIDOXAL [WHO-DD], Oprea1_534980, DTXCID2026020, 5-21-13-00044 (Beilstein Handbook Reference), NSC19613, 2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine, NCGC00142580-03, CAS-66-72-8, Pyridocalx, MFCD00464806, nchembio.93-comp2, bmse000110, SCHEMBL29906, MLS003876810, CHEMBL102970, EX-A576, AIDS006783, AAA06672, AIDS-006783, ALBB-021353, Tox21_111561, BBL004877, BDBM50366979, STL137770, AKOS000634540, Tox21_111561_1, DB00147, GS-3388, NCGC00142580-01, NCGC00142580-04, NCGC00142580-05, AS-83252, SMR002533344, 2Methyl3hydroxy4formyl5hydroxymethylpyridine, HY-107469, CS-0028583, NS00014912, EN300-24934, 3Hydroxy5hydroxymethyl2methyl4pyridincarbaldehyd, C00250, D82489, 3Hydroxy5(hydroxymethyl)2methylisonicotinaldehyde, Q3065731, 1,3-Dihydro-6-methylfuro[3,4-c]pyridine-1,7-diol, 3Hydroxy5(hydroxymethyl)2methyl4pyridinecarboxaldehyde, 6-methyl-1,3-Dihydro-furo[3,4-c]pyridine-1,7-diol, 849ADF16-456D-4BAB-A7EA-93A4C9D428AF, BRD-K76204040-001-03-8, Z56922082, 4Pyridinecarboxaldehyde, 3hydroxy5(hydroxymethyl)2methyl, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde #, 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl- (9CI), 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-(9CI), 200-630-8 |
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| Topological Polar Surface Area | 70.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Pathway Kegg Map Id | map00750 |
| Description | Exhibits vitamin B6 activity Pyridoxal is one of the three natural forms of vitamin B6, along with pyridoxamine and pyridoxine (also called "pyridoxol"). All of these forms are converted in the human body into a single biologically active form, pyridoxal 5-phosphate. All three forms of vitamin B6 are heterocyclic organic compounds. Green plants are a natural source of pyridoxal, and its deficiency in the human body can lead to serious complications such as epilepsy and seizures., Pyridoxal principally in the form of the coenzyme pyridoxal 5'-phosphate, is involved in a wide range of biochemical reactions, including the metabolism of amino acids and glycogen, the synthesis of nucleic acids, hemogloblin, sphingomyelin and other sphingolipids, and the synthesis of the neurotransmitters serotonin, dopamine, norepinephrine and gamma-aminobutyric acid (GABA)., The 4-carboxyaldehyde form of vitamin B6 which is converted to pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. Pyridoxal is found in many foods, some of which are ucuhuba, millet, spinach, and opium poppy. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P23378 |
| Uniprot Id | Q06278, O00764, Q03164, P02545, B2RXH2, P00352, Q9F4F7, P15428, Q92830, Q96KQ7, Q9UBT6, O75496, P27695, n.a., Q16236, P04792 |
| Iupac Name | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde |
| Prediction Hob | 1.0 |
| Class | Pyridines and derivatives |
| Target Id | NPT2742, NPT483, NPT48, NPT94, NPT151 |
| Xlogp | 0.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyridine carboxaldehydes |
| Molecular Formula | C8H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RADKZDMFGJYCBB-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.532 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 0.278 |
| Synonyms | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde, 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd, 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde, 9CI, 3-Hydroxy-5-hydroxymethyl-2-methylisonicotinic aldehyde, PL, PXL, Pyridoxaldehyde, Vitamin B6 hydrochloride |
| Substituent Name | Pyridoxal, Methylpyridine, Hydroxypyridine, Aryl-aldehyde, Heteroaromatic compound, Vinylogous acid, Azacycle, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aldehyde, Alcohol, Aromatic heteromonocyclic compound |
| Compound Name | Pyridoxal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 167.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 167.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 167.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0027168 |
| Inchi | InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 |
| Smiles | CC1=NC=C(C(=C1O)C=O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all