| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-16 12:31:47 UTC |
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| Update date | 2018-04-16 20:11:32 UTC |
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| FoodComEx ID | PC001133 |
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| FoodDB Record | FDB023135 |
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| Chemical Information |
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| Name | Nicotinuric acid |
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| Description | Nicotinuric acid is an acyl glycine. Nicotinuric acid is the major detoxification product of nicotinic acid. |
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| CAS Number | 583-08-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| N-(3-pyridinylcarbonyl)-(9CI)-glycine | hmdb | | N-(3-pyridinylcarbonyl)-glycine | hmdb | | N-(Pyridin-3-ylcarbonyl)glycine | hmdb | | N-nicotinoyl-(8CI)-Glycine | hmdb | | N-nicotinoyl-Glycine | hmdb | | N-Nicotinurate | hmdb | | N-Nicotinuric acid | hmdb | | N-Nicotinylglycine | hmdb | | Nicotinic acid | Generator | | Nicotinoyl-glycine | hmdb | | Nicotinoylglycine | hmdb | | Nicotinurate | hmdb | | Nicotinylglycine | hmdb |
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| Chemical Formula | C8H8N2O3 |
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| IUPAC name | 2-[(pyridin-3-yl)formamido]acetic acid |
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| InChI Identifier | InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12) |
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| InChI Key | ZBSGKPYXQINNGF-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)CNC(=O)C1=CN=CC=C1 |
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| Average Molecular Weight | 180.1607 |
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| Monoisotopic Molecular Weight | 180.053492132 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | N-acyl-alpha amino acids |
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| Alternative Parents | |
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| Substituents | - N-acyl-alpha-amino acid
- Nicotinamide
- Pyridine
- Heteroaromatic compound
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Azacycle
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Organic oxide
- Carbonyl group
- Organic nitrogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- 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 | 1 to 5 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | -18°C |
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| Stability | Not Available |
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| Purity | unknown |
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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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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| AKSci | 8632AB |
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| MetaSci | HMDB0003269 |
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| Sigma-Aldrich | HMDB0003269 |
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| Toronto Research Chemicals | N433500 |
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