Chemical substance record

Quinolinic acid

89-00-9C₇H₅NO₄167.12 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	89-00-9	ChEBI ↗
Molecular formula	C₇H₅NO₄	ChEBI ↗
Molar mass	167.12 g/mol	ChEBI ↗
Monoisotopic mass	167.02186 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:16675	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	167.12 g/mol	PubChem ↗
Exact mass	167.02185764 Da	PubChem ↗
Computed XLogP	0.2	PubChem ↗
Topological polar surface area (Å²)	87.5	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	5	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

quinolinic acid

IUPAC name

pyridine-2,3-dicarboxylic acid

InChIKey

GJAWHXHKYYXBSV-UHFFFAOYSA-N

SMILES

O=C(O)c1cccnc1C(=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)

Names & synonyms

pyridine-2,3-dicarboxylic acid

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

pyridinedicarboxylic acidChEBI parent class · 36112 ↗

carboxylic acid organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

NMDA receptor agonistmouse metaboliteEscherichia coli metabolitehuman metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00598372 mol

Uses 167.12 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 7 atoms

50.31%

O

Oxygen · 4 atoms

38.29%

N

Nitrogen · 1 atom

8.38%

H

Hydrogen · 5 atoms

3.02%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Kynurenine 3-mono-oxygenase activity and neurotoxic kynurenine metabolites increase in the spinal cord of rats with experimental allergic encephalomyelitis. ↗Neuroscience · 2001 · PMID 11226705

Quinolinic acid accumulation during neuroinflammation. Does it imply excitotoxicity? ↗Annals of the New York Academy of Sciences · 2001 Jun · PMID 11462760

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:16675

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 1066 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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