Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
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MetaCyc Compound: 1-hydroxy-2-naphthoate

Chemical Formula: C11H7O3

Molecular Weight: 187.17 Daltons

Monoisotopic Molecular Weight: 188.0473441231 Daltons

SMILES: C2(C=C1(C=CC(=C(O)C1=CC=2)C([O-])=O))

InChI: InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)/p-1

InChIKey: InChIKey=SJJCQDRGABAVBB-UHFFFAOYSA-M

Unification Links: ChEBI:15992 , ChemSpider:4573815 , KEGG:C03203 , PubChem:54675865

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -4.3842216 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
1-hydroxy-2-naphthoate + NAD(P)H + oxygen + 2 H+ → naphthalene-1,2-diol + CO2 + NAD(P)+ + H2O
1-hydroxy-2-naphthoate + oxygen → (3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoate + H+


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 Sun Feb 1, 2015, BIOCYC13B.