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MetaCyc Compound: 2,3-dihydroxy-5-methyl-1,4-benzoquinone

Chemical Formula: C7H5O4

Monoisotopic Molecular Weight: 154.026608681 Daltons

2,3-dihydroxy-5-methyl-1,4-benzoquinone compound structure

SMILES: CC1(=CC(=O)C(O)=C([O-])C(=O)1)

InChI: InChI=1S/C7H6O4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,10-11H,1H3/p-1

InChIKey: InChIKey=DUPLFIFGNDSGBB-UHFFFAOYSA-M

Unification Links: ChEBI:46691 , PubChem:25245793

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -81.74645 Inferred by computational analysis [Latendresse13]

This compound has been characterized as an alternative substrate of the following enzymes: NAD(P)H:quinone oxidoreductase


References

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


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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 Tue Apr 28, 2015, biocyc11.