NTM

QUINOLINIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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11 entries where NTM is found as a standalone ligand1 entries where NTM is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

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Chemical Component Summary
Name	QUINOLINIC ACID
Systematic Name (OpenEye OEToolkits)	pyridine-2,3-dicarboxylic acid
Formula	C₇ H₅ N O₄
Molecular Weight	167.119
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1ncccc1C(=O)O
SMILES	CACTVS	3.341	OC(=O)c1cccnc1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(nc1)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1cccnc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(nc1)C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey	InChI	1.03	GJAWHXHKYYXBSV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01796
Name	Quinolinic Acid
Groups	experimental
Description	A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS. [PubChem]
Synonyms	Quinolinic Acid
Categories	Pyridines Quinolinic Acids
CAS number	89-00-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nicotinate-nucleotide pyrophosphorylase [carboxylating]	MPPRRYNPDDRRDALLERINLDIPAAVAQALREDLGGEVDAGNDITAQLL...	unknown
Nicotinate-nucleotide pyrophosphorylase [carboxylating]	MGLSDWELAAARAAIARGLDEDLRYGPDVTTLATVPASATTTASLVTREA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682