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Metabolic Modeling Tutorial
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ends Feb 21th, 2015
Metabolic Modeling Tutorial
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ends Feb 21th, 2015
Metabolic Modeling Tutorial
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ends Feb 21th, 2015
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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

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


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 Fri Feb 27, 2015, biocyc12.