MetaCyc Compound: 5-chlorosalicylate

Superclasses: an aromatic compounda chloroaromatic compound
an organohalogen compoundan organochlorine compounda chloroaromatic compound

Chemical Formula: C7H4O3Cl

Molecular Weight: 171.56 Daltons

Monoisotopic Molecular Weight: 171.99272173679998 Daltons

5-chlorosalicylate compound structure

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

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


Unification Links: ChEBI:59131, ChemSpider:5324206, PubChem:54706660

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

Reactions known to consume the compound:

chlorosalicylate degradation :
5-chlorosalicylate + NADH + 2 H+ + oxygen → 4-chlorocatechol + CO2 + NAD+ + H2O

In Reactions of unknown directionality:

Not in pathways:
RH + chloride + hydrogen peroxide + H+ = RCl + 2 H2O
an organic molecule + hypochlorous acid = an organochlorine compound + H2O

This compound has been characterized as an alternative substrate of the following enzymes: 5-nitrosalicylate 1,2-dioxygenase, 4-chlorosalicylate 1-hydroxylase


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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