Metabolic Modeling Tutorial
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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
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MetaCyc Compound: picolinate

Synonyms: 2-pyridinecarboxylate, picolinic acid, 2-pyridine carboxylic acid, 2-picolinate

Chemical Formula: C6H4NO2

Molecular Weight: 122.1 Daltons

Monoisotopic Molecular Weight: 123.0320284099 Daltons

SMILES: C1(=CC=CC(=N1)C([O-])=O)

InChI: InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)/p-1

InChIKey: InChIKey=SIOXPEMLGUPBBT-UHFFFAOYSA-M

Unification Links: CAS:98-98-6 , ChEBI:38184 , ChemSpider:5295272 , HMDB:HMDB02243 , KEGG:C10164 , PubChem:6920223

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -16.457577 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

tryptophan degradation XI (mammalian, via kynurenine) :
2-aminomuconate 6-semialdehyde → picolinate + H2O

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

Inhibitor (Mechanism unknown) of: guanosine-3',5'-bis(diphosphate) 3'-diphosphatase [Xiao91] , 2-amino 3-carboxymuconate 6-semialdehyde decarboxylase [Pucci07] , quinolinate phosphoribosyltransferase (decarboxylating) [Mann74]


References

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

Mann74: Mann DF, Byerrum RU (1974). "Quinolinic acid phosphoribosyltransferase from castor bean endosperm. I. Purification and characterization." J Biol Chem 249(21);6817-23. PMID: 4422841

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

Xiao91: Xiao H, Kalman M, Ikehara K, Zemel S, Glaser G, Cashel M (1991). "Residual guanosine 3',5'-bispyrophosphate synthetic activity of relA null mutants can be eliminated by spoT null mutations." J Biol Chem 1991;266(9);5980-90. PMID: 2005134


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 Wed Nov 26, 2014, biocyc11.