Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 2-nitrophenol

Synonyms: o-nitrophenol

Superclasses: a nitrohydrocarbon a C-nitro compound
an aromatic compound

Chemical Formula: C6H4NO3

Molecular Weight: 138.1 Daltons

Monoisotopic Molecular Weight: 140.0347680641 Daltons

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

InChI: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H/p-1

InChIKey: InChIKey=IQUPABOKLQSFBK-UHFFFAOYSA-M

Unification Links: CAS:88-75-5 , ChEBI:57703 , ChemSpider:3402212 , KEGG:C01988 , PubChem:4191617

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -24.007578 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

2-nitrophenol degradation :
2-nitrophenol + NADPH + oxygen + 3 H+ → catechol + nitrite + 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 Thu Dec 18, 2014, biocyc11.