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-aminomuconate

Synonyms: 2-aminomuconic acid

Chemical Formula: C6H5NO4

Molecular Weight: 155.11 Daltons

Monoisotopic Molecular Weight: 157.0375077183 Daltons

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

InChI: InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/p-2/b3-1+,4-2-

InChIKey: InChIKey=ZRHONLCTYUYMIQ-TZFCGSKZSA-L

Unification Links: ChEBI:57937 , HMDB:HMDB01241 , KEGG:C02220 , MetaboLights:MTBLC57937 , PubChem:25244847

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -67.87264 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

2-amino-3-carboxymuconate semialdehyde degradation to 2-oxopentenoate , 2-aminophenol degradation , 2-nitrobenzoate degradation I :
2-aminomuconate + H+ + H2O → (3E)-2-oxohex-3-enedioate + ammonium

2-amino-3-carboxymuconate semialdehyde degradation to glutaryl-CoA :
2-oxoadipate + ammonium + NAD+2-aminomuconate + NADH + H2O + 2 H+

Reactions known to produce the compound:

2-amino-3-carboxymuconate semialdehyde degradation to 2-oxopentenoate , 2-amino-3-carboxymuconate semialdehyde degradation to glutaryl-CoA , 2-aminophenol degradation , 2-nitrobenzoate degradation I :
2-aminomuconate 6-semialdehyde + NAD+ + H2O → 2-aminomuconate + NADH + 2 H+

In Reactions of unknown directionality:

Not in pathways:
2-aminomuconate + H+ + H2O = (2Z,4E)-2-hydroxyhexa-2,4-dienedioate + ammonium


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 Fri Nov 28, 2014, biocyc12.