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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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Escherichia coli K-12 substr. MG1655 Compound: 3-methylcatechol

Synonyms: 2,3-dihydroxytoluene

Superclasses: an alcohol a diol a benzenediol a catechol
an aromatic compound a benzenediol a catechol

Chemical Formula: C7H8O2

Molecular Weight: 124.14 Daltons

Monoisotopic Molecular Weight: 124.05242950099999 Daltons

SMILES: CC1(=CC=CC(=C1O)O)

InChI: InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3

InChIKey: InChIKey=PGSWEKYNAOWQDF-UHFFFAOYSA-N

Unification Links: CAS:488-17-5 , ChEBI:18404 , ChemSpider:333 , DrugBank:DB03454 , KEGG:C02923 , MetaboLights:MTBLC18404 , PubChem:340

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -51.01

Reactions known to produce the compound:

β-D-glucuronide and D-glucuronate degradation :
a β-D-glucuronoside + H2O → D-glucopyranuronate + an alcohol

glycerophosphodiester degradation :
a glycerophosphodiester + H2O → an alcohol + sn-glycerol 3-phosphate + H+

Not in pathways:
an alcohol + NAD+ + H2O ← an organic hydroperoxide + NADH + H+
an N-acetyl-β-D-hexosaminide + H2O → an N-acetyl-β-D-hexosamine + an alcohol
a carboxylic ester + H2O → an alcohol + a carboxylate + H+
an acetic ester + H2O → an alcohol + acetate + H+
an organic hydroperoxide + a reduced thioredoxin → an alcohol + an oxidized thioredoxin + H2O
a phosphate monoester[periplasmic space] + H2O[periplasmic space]an alcohol[periplasmic space] + phosphate[periplasmic space]
a phosphate monoester[periplasmic space] + H2O[periplasmic space]an alcohol[periplasmic space] + phosphate[periplasmic space]

In Reactions of unknown directionality:

Not in pathways:
an alcohol + NADP+ = an aldehyde + NADPH + H+

Enzymes activated by 3-methylcatechol, sorted by the type of activation, are:

Activator (Mechanism unknown) of: phosphoenolpyruvate carboxylase [Izui83]


References

Izui83: Izui K, Matsuda Y, Kameshita I, Katsuki H, Woods AE (1983). "Phosphoenolpyruvate carboxylase of Escherichia coli. Inhibition by various analogs and homologs of phosphoenolpyruvate." J Biochem (Tokyo) 1983;94(6);1789-95. PMID: 6368527


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 18.5 on Sat Dec 20, 2014, BIOCYC13B.