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: thiolactomycin

Synonyms: antibiotic 2-200, (+)-thiolactomycin, (R)-(+)-thiolactomycin, (2R)-5-hydroxy-2,4-dimethyl-2-[(1E)-2-methylbuta-1,3-dien-1-yl]-2,3-dihydrothiophen-3-one

Superclasses: a secondary metabolite a xenobiotic an antibiotic

Chemical Formula: C11H14O2S

Molecular Weight: 210.29 Daltons

Monoisotopic Molecular Weight: 210.0714503836 Daltons

SMILES: C=CC(C)=CC1(SC(O)=C(C)C(=O)1)(C)

InChI: InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,13H,1H2,2-4H3/b7-6+/t11-/m1/s1

InChIKey: InChIKey=HGCGJTZCWZFGBT-XUIVZRPNSA-N

Unification Links: ChEBI:398495 , ChemSpider:16744232 , KEGG:C11165 , PubChem:445629

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 110.93569 Inferred by computational analysis [Latendresse13]

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

Enzymes inhibited by thiolactomycin, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: acetyl-CoA:ACP transacylase [Tsay92] , β-ketoacyl-ACP synthase [Jackowski89] , β-ketoacyl-ACP synthase [Jackowski89] , acetoacetyl-[acp] synthase [Jackowski89] , β-ketoacyl-ACP synthase [Jackowski89] , acetoacetyl-[acp] synthase [Jackowski89]


References

Jackowski89: Jackowski S, Murphy CM, Cronan JE, Rock CO (1989). "Acetoacetyl-acyl carrier protein synthase. A target for the antibiotic thiolactomycin." J Biol Chem 1989;264(13);7624-9. PMID: 2651445

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

Tsay92: Tsay JT, Oh W, Larson TJ, Jackowski S, Rock CO (1992). "Isolation and characterization of the beta-ketoacyl-acyl carrier protein synthase III gene (fabH) from Escherichia coli K-12." J Biol Chem 1992;267(10);6807-14. PMID: 1551888


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 Mon Nov 24, 2014, BIOCYC14A.