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: epoxypseudoisoeugenol-2-methylbutyrate

Superclasses: an aromatic compound an organic aromatic compound a phenylpropanoid

Chemical Formula: C15H20O4

Molecular Weight: 264.32 Daltons

Monoisotopic Molecular Weight: 264.1361591304 Daltons

SMILES: CCC(C)C(=O)OC2(C=CC(OC)=CC(C1(OC(C)1))=2)

InChI: InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3

InChIKey: InChIKey=VXWVNVFBEJTTKA-UHFFFAOYSA-N

Unification Links: ChemSpider:474483 , HMDB:HMDB35805 , PubChem:545130

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 122.14241 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

epoxypseudoisoeugenol-2-methylbutyrate biosynthesis :
2-methylbutanoate + pseudoisoeugenol → epoxypseudoisoeugenol-2-methylbutyrate


References

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 Wed Dec 17, 2014, biocyc13.