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: 4-aminophenol

Synonyms: 4-hydroxyaniline, p-aminophenol, 4-aminobenzenol, p-hydroxyaniline, p-aminobenzenol

Superclasses: an aromatic compound a phenol

Chemical Formula: C6H7NO

Molecular Weight: 109.13 Daltons

Monoisotopic Molecular Weight: 109.052763852 Daltons

SMILES: C1(=CC(=CC=C1N)O)

InChI: InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

InChIKey: InChIKey=PLIKAWJENQZMHA-UHFFFAOYSA-N

Unification Links: CAS:123-30-8 , ChEBI:17602 , ChemSpider:392 , HMDB:HMDB01169 , KEGG:C02372 , MetaboLights:MTBLC17602 , PubChem:403

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 66.05784 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

4-aminophenol degradation :
4-aminophenol + H2O + H+ → ammonium + benzene-1,4-diol

Reactions known to produce the compound:

Not in pathways:
4-aminobenzoate + NAD(P)H + oxygen + 2 H+4-aminophenol + CO2 + NAD(P)+ + H2O
amino-parathion + H2O → diethylthiophosphate + 4-aminophenol + H+


an aryl dialkyl phosphate + H2O → a dialkyl phosphate + a phenol
a phenyl acetate + H2O → a phenol + acetate + H+
a phenol sulfate + H2O ↔ a phenol + sulfate + H+

In Reactions of unknown directionality:

Not in pathways:
a phenol + NADP+ = an aryl aldehyde + NADPH + H+
3'-phosphoadenylyl-sulfate + a phenol = adenosine 3',5'-bisphosphate + an aryl sulfate
a phenol + NAD+ = an aryl aldehyde + NADH + H+
UDP-α-D-glucose + a phenol = UDP + an aryl β-D-glucoside + H+
a phenol + an aryl sulfate = an aryl sulfate + a phenol


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 Sun Nov 23, 2014, biocyc14.