PXL

3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE

Created:	2004-05-24
Last modified:	2024-09-27

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7 entries where PXL is found as a standalone ligand4 entries where PXL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE
Synonyms	PYRIDOXAL
Systematic Name (OpenEye OEToolkits)	3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde
Formula	C₈ H₉ N O₃
Molecular Weight	167.162
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Cc1c(cnc(c1O)C)CO
SMILES	CACTVS	3.341	Cc1ncc(CO)c(C=O)c1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)CO)C=O)O
Canonical SMILES	CACTVS	3.341	Cc1ncc(CO)c(C=O)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)CO)C=O)O
InChI	InChI	1.03	InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
InChIKey	InChI	1.03	RADKZDMFGJYCBB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00147
Name	Pyridoxal
Groups	nutraceutical experimental
Description	The 4-carboxyaldehyde form of vitamin B 6 which is converted to pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. [PubChem]
Synonyms	3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde Pyridoxaldehyde 2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine Pyridoxal Pyridoxal hydrochloride Piridoxal 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde
Indication	Pyridoxal is one of the natural forms available of vitamin B6, therefore, it is used for nutritional supplementation and for treating dietary shortage or imbalances.
Categories	Dietary Supplements Micronutrients Picolines Pyridines Supplements Vitamin B Complex Vitamins
CAS number	66-72-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Pyridoxal kinase	MEEECRVLSIQSHVIRGYVGNRAATFPLQVLGFEIDAVNSVQFSNHTGYA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682