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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
BioCyc websites down
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Metabolic Modeling Tutorial
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Escherichia coli K-12 substr. MG1655 Compound: trans-aconitate

Synonyms: trans-aconitic acid, (E)-prop-1-ene-1,2,3-tricarboxylate

Superclasses: an acid all carboxy acids a carboxylate a tricarboxylate

Chemical Formula: C6H3O6

Molecular Weight: 171.09 Daltons

Monoisotopic Molecular Weight: 174.0164379252 Daltons

SMILES: C([O-])(=O)C=C(C([O-])=O)CC([O-])=O

InChI: InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1+

InChIKey: InChIKey=GTZCVFVGUGFEME-HNQUOIGGSA-K

Unification Links: CAS:4023-65-8 , ChEBI:15708 , ChemSpider:4451452 , DrugBank:DB04351 , HMDB:HMDB00958 , IAF1260:39643 , KEGG:C02341 , PubChem:5289496

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -222.28

Reactions known to consume the compound:

Not in pathways:
trans-aconitate + S-adenosyl-L-methionine → (E)-3-(methoxycarbonyl)pent-2-enedioate + S-adenosyl-L-homocysteine

Reactions known to produce the compound:

Not in pathways:
a carboxylic ester + H2O → an alcohol + a carboxylate + H+
an aldehyde + NADP+ + H2O → a carboxylate + NADPH + 2 H+
an acyl phosphate + H2O → a carboxylate + phosphate + H+
an acyl-CoA + H2O → a carboxylate + coenzyme A + H+
a 1-lysophosphatidylcholine + H2O → a carboxylate + sn-glycero-3-phosphocholine + H+

In Reactions of unknown directionality:

Not in pathways:
trans-aconitate = cis-aconitate


an aldehyde[periplasmic space] + FAD[periplasmic space] + H2O[periplasmic space] = a carboxylate[periplasmic space] + FADH2[periplasmic space]

Enzymes inhibited by trans-aconitate, sorted by the type of inhibition, are:

Inhibitor (Competitive) of: prephenate dehydratase [Baldwin83]


References

Baldwin83: Baldwin GS, Davidson BE (1983). "Kinetic studies on the mechanism of chorismate mutase/prephenate dehydratase from Escherichia coli K12." Biochim Biophys Acta 1983;742(2);374-83. PMID: 6337635


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 Mon Dec 22, 2014, biocyc13.