Metabolic Modeling Tutorial
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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: pyrogallol

Synonyms: 1,2,3-trihydroxybenzene, 1,2,3-benzenetriol, C.I. Oxidation Base 32, C.I. 76515, fouramine base ap, Fouramine Brown AP, fourrine 85, fourrine PG, Piral, Pyro, pyrogallic acid

Chemical Formula: C6H6O3

Molecular Weight: 126.11 Daltons

Monoisotopic Molecular Weight: 126.0316940589 Daltons

SMILES: C1(C=C(O)C(O)=C(C=1)O)

InChI: InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H

InChIKey: InChIKey=WQGWDDDVZFFDIG-UHFFFAOYSA-N

Unification Links: ChEBI:16164 , ChemSpider:13835557 , HMDB:HMDB13674 , KEGG:C01108 , MetaboLights:MTBLC16164 , PubChem:1057 , UMBBD-Compounds:c0025

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -27.233282 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

2,2'-dihydroxybiphenyl degradation :
pyrogallol + oxygen → (2Z,4E)-2-hydroxyhexa-2,4-dienedioate + 2 H+

gallate degradation III (anaerobic) :
1,2,3,5-tetrahydroxybenzene + pyrogallol → 1,2,3,5-tetrahydroxybenzene + phloroglucinol

Reactions known to produce the compound:

2,2'-dihydroxybiphenyl degradation :
2,3-dihydroxybenzoate + NADH + oxygen + 2 H+pyrogallol + CO2 + NAD+ + H2O

Reactions known to both consume and produce the compound:

gallate degradation III (anaerobic) :
gallate + H+ ↔ CO2 + pyrogallol

Enzymes inhibited by pyrogallol, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: ethylnitronate monooxygenase [Kido78a]


References

Kido78a: Kido T, Soda K (1978). "Properties of 2-nitropropane dioxygenase of Hansenula mrakii. Formation and participation of superoxide." J Biol Chem 253(1);226-32. PMID: 201619

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 Nov 27, 2014, biocyc11.