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Identification |
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YMDB ID | YMDB00007 |
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Name | Quinolinic acid |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | Quinolinic acid is a dicarboxylic acid. It is formed from the metabolism of tryptophan in the kynurenine pathway. Quinolinic acid is used in the formation of NAD. |
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Structure | |
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Synonyms | - 2,3-pyridinedicarboxylate
- 2,3-pyridinedicarboxylic acid
- 3,4-Pyridinedicarboxylic acid
- Pyridin-2,3-dicarbonsaeure
- pyridine-2,3-carboxylate
- Pyridine-2,3-dicarboxylate
- Pyridine-2,3-dicarboxylic acid
- Pyridine-3,4-dicarboxylic acid
- Quinolinate
- Quinolinic acid
- Quinolinic acid, copper(2+) salt
- Quinolinic acid, disodium salt
- Quinolinic acid, strontium salt
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CAS number | 89-00-9 |
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Weight | Average: 167.1189 Monoisotopic: 167.021857653 |
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InChI Key | GJAWHXHKYYXBSV-UHFFFAOYSA-N |
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InChI | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
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IUPAC Name | pyridine-2,3-dicarboxylic acid |
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Traditional IUPAC Name | quinolinic acid |
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Chemical Formula | C7H5NO4 |
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SMILES | [H]OC(=O)C1=NC([H])=C([H])C([H])=C1C(=O)O[H] |
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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
- Dicarboxylic acid or derivatives
- Heteroaromatic compound
- Azacycle
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Solid |
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Charge | 0 |
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Melting point | 190 °C |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | 11 mg/mL at 25 oC [YALKOWSKY,SH & HE,Y (2003)] | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | |
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KEGG Pathways | Nicotinate and nicotinamide metabolism | ec00760 |  | Tryptophan metabolism | ec00380 |  | beta-Alanine metabolism | ec00410 |  |
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SMPDB Reactions | |
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KEGG Reactions | |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra |
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References |
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References: | - UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
- Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
- Panozzo, C., Nawara, M., Suski, C., Kucharczyka, R., Skoneczny, M., Becam, A. M., Rytka, J., Herbert, C. J. (2002). "Aerobic and anaerobic NAD+ metabolism in Saccharomyces cerevisiae." FEBS Lett 517:97-102.12062417
- di Luccio, E., Wilson, D. K. (2008). "Comprehensive X-ray structural studies of the quinolinate phosphoribosyl transferase (BNA6) from Saccharomyces cerevisiae." Biochemistry 47:4039-4050.18321072
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Synthesis Reference: | Akhmerova, S. G.; Islamgulova, V. R.; Koksharov, V. G.; Sapozhnikov, Yu. E.; Manaeva, R. M. Methods of preparation of quinolinic acid. Bashkirskii Khimicheskii Zhurnal (2001), 8(2), 9-14. |
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