Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: 2-aminomuconate 6-semialdehyde

Synonyms: 2-aminomuconate semialdehyde, 2-aminomuconic semialdehyde, 2-aminomuconic 6-semialdehyde

Chemical Formula: C6H6NO3

Molecular Weight: 140.12 Daltons

Monoisotopic Molecular Weight: 141.0425930962 Daltons

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

InChI: InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/p-1/b2-1-,5-3+

InChIKey: InChIKey=QCGTZPZKJPTAEP-REDYYMJGSA-M

Unification Links: ChEBI:57495 , ChemSpider:7822225 , HMDB:HMDB01280 , KEGG:C03824 , MetaboLights:MTBLC57495 , PubChem:9543252

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -3.9653397 Inferred by computational analysis [Latendresse13]

Reactions known to consume 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+

tryptophan degradation XI (mammalian, via kynurenine) :
2-aminomuconate 6-semialdehyde → picolinate + H2O

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-nitrobenzoate degradation I :
aminocarboxymuconate semialdehyde + H+2-aminomuconate 6-semialdehyde + CO2

2-aminophenol degradation :
2-aminophenol + oxygen → 2-aminomuconate 6-semialdehyde + H+


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 Sat Dec 20, 2014, BIOCYC14A.