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
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MetaCyc Compound: 2-chloro-3-oxoadipate

Chemical Formula: C6H5O5Cl

Molecular Weight: 192.56 Daltons

Monoisotopic Molecular Weight: 193.99820104519998 Daltons

SMILES: C(C(Cl)C(CCC([O-])=O)=O)([O-])=O

InChI: InChI=1S/C6H7ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2H2,(H,9,10)(H,11,12)/p-2

InChIKey: InChIKey=YJYHEBUTQYISNJ-UHFFFAOYSA-L

Unification Links: ChemSpider:7822015 , KEGG:C12836 , PubChem:9543042

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -146.37263 Inferred by computational analysis [Latendresse13]

Enzymes inhibited by 2-chloro-3-oxoadipate, sorted by the type of inhibition, are:

Inhibitor (Uncompetitive) of: β-ketoadipyl CoA thiolase [Kaschabek02]


References

Kaschabek02: Kaschabek SR, Kuhn B, Muller D, Schmidt E, Reineke W (2002). "Degradation of aromatics and chloroaromatics by Pseudomonas sp. strain B13: purification and characterization of 3-oxoadipate:succinyl-coenzyme A (CoA) transferase and 3-oxoadipyl-CoA thiolase." J Bacteriol 184(1);207-15. PMID: 11741862

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


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 Thu Dec 18, 2014, biocyc12.