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Quinolinic acid

CAT: 1568-C09466-02Size: 1 gDry Ice: YesHazardous: No
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CAS Number
89-00-9
Synonyms
Pyridine-2,3-dicarboxylic acid, QUIN
SKU
C09466-25mg
Target
NMDAR
Applications
Neuronal Signaling
Smiles
C1=CC (=C (N=C1) C (=O) O) C (=O) O
Molecular Formula
C7H5NO4
Additionnal Information
Quinolinic Acid (pyridine-2,3-dicarboxylic acid, QUIN), a neuroactive metabolite of the kynurenine pathway, is an agonist of N-methyl-D-aspartate (NMDA) receptor.
Storage Conditions
2 years -80 in solvent

Chemical Information

Quinolinic Acid

Quinolinic acid is a pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. It has a role as a NMDA receptor agonist, a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a conjugate acid of a quinolinate and a quinolinate(1-).

CAS Number89-00-9
PubChem CID1066
IUPAC Namepyridine-2,3-dicarboxylic acid
Molecular FormulaC7H5NO4
Molecular Weight167.12
XLogP0.2
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity204
SMILES
C1=CC(=C(N=C1)C(=O)O)C(=O)O
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)
InChIKey
GJAWHXHKYYXBSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinolinic Acid
CAS: 89-00-9
CID: 1066
Formula: C7H5NO4
MW: 167.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.12
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass167.02185764
Monoisotopic Mass167.02185764
Topological Polar Surface Area87.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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