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: penem CGP31608

Superclasses: a secondary metabolite a xenobiotic an antibiotic

Chemical Formula: C9H12N2O4S

Molecular Weight: 244.26 Daltons

Monoisotopic Molecular Weight: 244.051777574 Daltons

SMILES: CC(O)C1(C(=O)N2(C(C(=O)[O-])=C(C[N+])SC12))

InChI: InChI=1S/C9H12N2O4S/c1-3(12)5-7(13)11-6(9(14)15)4(2-10)16-8(5)11/h3,5,8,12H,2,10H2,1H3,(H,14,15)

InChIKey: InChIKey=RXCNILVLOHRALM-UHFFFAOYSA-N

Unification Links: PubChem:44123466

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -19.066565 Inferred by computational analysis [Latendresse13]

In Transport reactions:
a xenobiotic[cytosol] + ATP + H2O ↔ a xenobiotic[extracellular space] + ADP + phosphate

Enzymes inhibited by penem CGP31608, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: DD-endopeptidase [Romeis94]


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Romeis94: Romeis T, Holtje JV (1994). "Penicillin-binding protein 7/8 of Escherichia coli is a DD-endopeptidase." Eur J Biochem 224(2);597-604. PMID: 7925376


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 Wed Nov 26, 2014, biocyc13.