Record Information |
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Version | 1.0 |
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Creation date | 2015-10-09 22:30:36 UTC |
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Update date | 2017-01-19 02:36:22 UTC |
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FoodComEx ID | PC000415 |
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FoodDB Record | FDB021874 |
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Chemical Information |
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Name | 4-Pyridoxic acid |
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Description | 4-Pyridoxic acid is the catabolic product of vitamin B6 (also known as pyridoxine, pyridoxal and pyradoxamine) which is excreted in the urine. Urinary levels of 4-pyridoxic acid are lower in females than in males and will be reduced in persons with riboflavin deficiency. 4-Pyridoxic acid is formed by the action of aldehyde oxidase I (an endogenous enzyme) and by microbial enzymes (pyridoxal 4-dehydrogenase), an NAD-dependent aldehyde dehydrogenase. 4-pyridoxic acid can be further broken down by the gut microflora via 4-pyridoxic acid dehydrogenase. This enzyme catalyzes the four electron oxidation of 4-pyridoxic acid to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate, using nicotinamide adenine dinucleotide as a cofactor. [HMDB] |
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CAS Number | 82-82-6 |
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Structure | |
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Synonyms | Synonym | Source |
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2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine | hmdb | 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate | hmdb | 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid | hmdb | 3-hydroxy-5-(hydroxymethyl)-2-methyl-Isonicotinate | hmdb | 3-hydroxy-5-(hydroxymethyl)-2-methyl-Isonicotinic acid | hmdb | 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinate | hmdb | 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid | hmdb | 3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinate | hmdb | 3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acid | hmdb | 3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeure | hmdb | 4-Pyridoxate | hmdb | 4-Pyridoxinate | hmdb | 4-Pyridoxinecarboxylate | hmdb | 4-Pyridoxinecarboxylic acid | hmdb | 4-Pyridoxinic acid | hmdb | 4-Pyridoxinsaeure | hmdb | 4-Pyridoxylate | hmdb | 4-Pyridoxylic acid | hmdb | Pyridoxate | Generator | Pyridoxic acid | ChEBI |
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Chemical Formula | C8H9NO4 |
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IUPAC name | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid |
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InChI Identifier | InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) |
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InChI Key | HXACOUQIXZGNBF-UHFFFAOYSA-N |
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Isomeric SMILES | CC1=NC=C(CO)C(C(O)=O)=C1O |
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Average Molecular Weight | 183.1614 |
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Monoisotopic Molecular Weight | 183.053157781 |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. |
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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 | Pyridinecarboxylic acids and derivatives |
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Direct Parent | Pyridinecarboxylic acids |
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Alternative Parents | |
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Substituents | - Pyridine carboxylic acid
- Hydroxypyridine
- Methylpyridine
- Vinylogous acid
- Heteroaromatic compound
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Hydrocarbon derivative
- Alcohol
- 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 | Not Available | |
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Melting Point | Not Available | |
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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 10 mg |
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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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MetaSci | HMDB0000017 |
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Sigma-Aldrich | HMDB0000017 |
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Toronto Research Chemicals | P991875 |
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