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MetaCyc Compound: isovalerate

Chemical Formula: C5H9O2

Molecular Weight: 101.12 Daltons

Monoisotopic Molecular Weight: 102.0680795652 Daltons

isovalerate compound structure

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

InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1

InChIKey: InChIKey=GWYFCOCPABKNJV-UHFFFAOYSA-M

Unification Links: ChEBI:48942 , ChemSpider:2823741 , HMDB:HMDB00718 , KEGG:C08262 , MetaboLights:MTBLC48942 , PubChem:3587356

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 8.428038 Inferred by computational analysis [Latendresse13]

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

Inhibitor (Competitive) of: valine decarboxylase [Sutton62]

Inhibitor (Mechanism unknown) of: 3-methyl-2-oxobutanoate hydroxymethyltransferase [Comment 1]

This compound has been characterized as an alternative substrate of the following enzymes: butyrate kinase


References

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

Powers76: Powers SG, Snell EE (1976). "Ketopantoate hydroxymethyltransferase. II. Physical, catalytic, and regulatory properties." J Biol Chem 1976;251(12);3786-93. PMID: 6463

Sutton62: Sutton CR, KING HK (1962). "Inhibition of leucine decarboxylase by thiol-binding reagents." Arch Biochem Biophys 96;360-70. PMID: 13918558


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 19.0 on Sat Sep 5, 2015, biocyc13.