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: 4-imidazolone-5-propionate

Synonyms: 4-imidazolone-5-propanoate, 4-imidazolone-5-propionic acid, 4,5-dihydro-4-oxo-5-imidazolepropanoate, imidazolone propionic acid, imidazolonepropanoate, imidazolone propionate, (S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate, 3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate, 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide

Chemical Formula: C6H7N2O3

Molecular Weight: 155.13 Daltons

Monoisotopic Molecular Weight: 156.0534921335 Daltons

SMILES: C(C1(C(=O)N=CN1))CC(=O)[O-]

InChI: InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)/p-1

InChIKey: InChIKey=HEXMLHKQVUFYME-UHFFFAOYSA-M

Unification Links: CAS:17340-16-8 , ChEBI:57255 , HMDB:HMDB01014 , KEGG:C03680 , MetaboLights:MTBLC57255 , PubChem:25243959

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -29.02422 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

histidine degradation I , histidine degradation II , histidine degradation III :
4-imidazolone-5-propionate + H2O → N-formimino-L-glutamate

histidine degradation VI :
4-imidazolone-5-propionate + oxygen + H2O + 2 H+ → 4-oxoglutaramate + ammonium + formate
4-imidazolone-5-propionate + H2O → formyl-L-isoglutamine
4-imidazolone-5-propionate + H2O → N-formimino-L-glutamate
4-imidazolone-5-propionate + oxygen + H2O → hydantoin-5-propionate + hydrogen peroxide

Reactions known to produce the compound:

histidine degradation I , histidine degradation II , histidine degradation III , histidine degradation VI :
4-imidazolone-5-propionate ← urocanate + H2O

Credits:
Revised 08-Feb-2013 by Caspi R , SRI International


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 Thu Nov 27, 2014, BIOCYC14B.