Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
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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: 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 [Romeis94a]


References

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

Romeis94a: 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 Sat Dec 20, 2014, BIOCYC13B.