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MetaCyc Compound: hydroxyaminobenzene

Synonyms: phenylhydroxylamine, N-hydroxyaniline, β-phenylhydroxylamine, hydroxylaminobenzene

Chemical Formula: C6H7NO

Molecular Weight: 109.13 Daltons

Monoisotopic Molecular Weight: 109.052763852 Daltons

hydroxyaminobenzene compound structure

SMILES: C1(=CC=C(C=C1)NO)

InChI: InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H

InChIKey: InChIKey=CKRZKMFTZCFYGB-UHFFFAOYSA-N

Unification Links: CAS:100-65-2 , ChEBI:28902 , ChemSpider:7237 , KEGG:C02720 , PubChem:7518

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 72.49784 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

nitrobenzene degradation I :
hydroxyaminobenzene → 2-aminophenol

Reactions known to produce the compound:

nitrobenzene degradation I :
nitrobenzene + 2 NADPH + 2 H+hydroxyaminobenzene + 2 NADP+ + H2O

This compound has been characterized as an alternative substrate of the following enzymes: 3-(hydroxyamino)phenol mutase


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
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