| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:51 UTC |
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| Update date | 2017-01-19 02:36:25 UTC |
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| FoodComEx ID | PC000471 |
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| FoodDB Record | FDB022275 |
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| Chemical Information |
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| Name | Quinaldic acid |
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| Description | A product of l-tryptophan catabolism, via kynurenic acid, found in human urine. [HMDB] |
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| CAS Number | 93-10-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Carboxyquinoline | hmdb | | 2-Chinolincarbonsaeure | ChEBI | | 2-Quinolinecarboxylate | hmdb | | 2-Quinolinecarboxylic acid | hmdb | | 2-Quinolinylcarboxylate | hmdb | | 2-Quinolinylcarboxylic acid | hmdb | | Chinaldinsaeure | ChEBI | | Quinaldate | hmdb | | Quinaldic acid | hmdb | | Quinaldinate | hmdb | | Quinaldinic acid | hmdb | | Quinolin-2-carboxylate | hmdb | | Quinolin-2-carboxylic acid | hmdb | | Quinoline-2-carboxylate | hmdb | | Quinoline-2-carboxylic acid | hmdb |
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| Chemical Formula | C10H7NO2 |
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| IUPAC name | quinoline-2-carboxylic acid |
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| InChI Identifier | InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) |
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| InChI Key | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1=NC2=C(C=CC=C2)C=C1 |
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| Average Molecular Weight | 173.1681 |
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| Monoisotopic Molecular Weight | 173.047678473 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Quinolines and derivatives |
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| Sub Class | Quinoline carboxylic acids |
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| Direct Parent | Quinoline carboxylic acids |
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| Alternative Parents | |
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| Substituents | - Quinoline-2-carboxylic acid
- Pyridine carboxylic acid
- Pyridine carboxylic acid or derivatives
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 500 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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| AKSci | F120 |
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| AKSci | J91542 |
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| AKSci | HMDB0000842 |
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| MetaSci | HMDB0000842 |
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| Toronto Research Chemicals | Q700490 |
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