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: isovalerate

Chemical Formula: C5H9O2

Molecular Weight: 101.12 Daltons

Monoisotopic Molecular Weight: 102.0680795652 Daltons

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]


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 18.5 on Fri Nov 28, 2014, BIOCYC13B.