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MetaCyc Compound: 3-chloro-4-hydroxybenzoate

Chemical Formula: C7H4O3Cl

Molecular Weight: 171.56 Daltons

Monoisotopic Molecular Weight: 171.99272173679998 Daltons

3-chloro-4-hydroxybenzoate compound structure

SMILES: C(C1(C=C(Cl)C(=CC=1)O))(=O)[O-]

InChI: InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)/p-1

InChIKey: InChIKey=QGNLHMKIGMZKJX-UHFFFAOYSA-M

Unification Links: ChemSpider:5324204, PubChem:54706659

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): -57.117573Inferred by computational analysis [Latendresse13]

This compound has been characterized as an alternative substrate of the following enzymes: ATP:protocatechuate adenylyltransferase


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
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