| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:38 UTC |
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| Update date | 2017-01-19 02:36:23 UTC |
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| FoodComEx ID | PC000428 |
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| FoodDB Record | FDB011169 |
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| Chemical Information |
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| Name | Pyridoxal |
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| Description | Pyridoxal, also known as pyridoxaldehyde, belongs to the class of organic compounds known as pyridoxals and derivatives. Pyridoxals and derivatives are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively. 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. Pyridoxal is a strong basic compound (based on its pKa). Pyridoxal exists in all living species, ranging from bacteria to humans. In humans, pyridoxal is involved in glycine and serine metabolism. Outside of the human body, Pyridoxal is found, on average, in the highest concentration within milk (cow). Pyridoxal has also been detected, but not quantified in, several different foods, such as tarragons, peppermints, jicama, shallots, and dandelions. This could make pyridoxal a potential biomarker for the consumption of these foods. Pyridoxal is a potentially toxic compound. Pyridoxal is the precursor to pyridoxal phosphate. |
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| CAS Number | 66-72-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | biospider | | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde | biospider | | 3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde | HMDB | | 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd | biospider | | 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde, 9CI | db_source | | 3-Hydroxy-5-hydroxymethyl-2-methylisonicotinic aldehyde | db_source | | PL | biospider | | PXL | biospider | | Pyridoxaldehyde | biospider | | Vitamin B6 hydrochloride | biospider |
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| Chemical Formula | C8H9NO3 |
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| IUPAC name | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde |
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| InChI Identifier | InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 |
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| InChI Key | RADKZDMFGJYCBB-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1=NC=C(CO)C(C=O)=C1O |
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| Average Molecular Weight | 167.162 |
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| Monoisotopic Molecular Weight | 167.058243159 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyridoxals and derivatives. Pyridoxals and derivatives are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Pyridine carboxaldehydes |
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| Direct Parent | Pyridoxals and derivatives |
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| Alternative Parents | |
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| Substituents | - Pyridoxal
- Aryl-aldehyde
- Hydroxypyridine
- Methylpyridine
- Vinylogous acid
- Heteroaromatic compound
- Azacycle
- Hydrocarbon derivative
- Aldehyde
- Alcohol
- Organic oxygen compound
- Aromatic alcohol
- Organic nitrogen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxide
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | 500 mg/mL | COFFEN,DL (1978) |
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| Melting Point | 165 oC | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | X5958 |
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