Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
twitter

MetaCyc Compound: kynurenate

Systematic Name: Quinaldic acid, 4-hydroxy-

Synonyms: kynurenic acid

Chemical Formula: C10H5NO3

Molecular Weight: 187.15 Daltons

Monoisotopic Molecular Weight: 189.0425930962 Daltons

SMILES: C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2))

InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/p-2

InChIKey: InChIKey=HCZHHEIFKROPDY-UHFFFAOYSA-L

Unification Links: CAS:492-27-3 , ChEBI:18344 , HMDB:HMDB00715 , KEGG:C01717 , MetaboLights:MTBLC18344 , PubChem:25201402

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -22.922638 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
kynurenate + a reduced electron acceptor + oxygen → 7,8-dihydro-7,8-dihydroxykynurenate + an oxidized electron acceptor

Reactions known to produce the compound:

tryptophan degradation XI (mammalian, via kynurenine) :
4-(2-aminophenyl)-2,4-dioxobutanoate → kynurenate + H2O + H+

In Reactions of unknown directionality:

Not in pathways:
quinaldate + an oxidized electron acceptor + H2O = kynurenate + a reduced electron acceptor + H+

Enzymes inhibited by kynurenate, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: 2-amino 3-carboxymuconate 6-semialdehyde decarboxylase [Pucci07]


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Pucci07: Pucci L, Perozzi S, Cimadamore F, Orsomando G, Raffaelli N (2007). "Tissue expression and biochemical characterization of human 2-amino 3-carboxymuconate 6-semialdehyde decarboxylase, a key enzyme in tryptophan catabolism." FEBS J 274(3);827-40. PMID: 17288562


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Fri Nov 28, 2014, BIOCYC14A.