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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
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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 Sun Dec 28, 2014, BIOCYC14A.