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


Unification Links: ChemSpider:5324204, PubChem:54706659

Standard Gibbs Free Energy of Change 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


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
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