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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: quinine

Synonyms: chinine

Chemical Formula: C20H25N2O2

Molecular Weight: 325.43 Daltons

Monoisotopic Molecular Weight: 324.183778025 Daltons

SMILES: C=CC4(C[N+]3(CCC(CC(C(O)C1(=CC=NC2(=CC=C(C=C12)OC)))3)4))

InChI: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14+,19?,20+/m0/s1

InChIKey: InChIKey=LOUPRKONTZGTKE-HODKIQDHSA-O

Unification Links: ChEBI:8723 , ChemSpider:5366663 , HMDB:HMDB14611 , KEGG:C06526 , PubChem:11920271

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 286.866 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
quinine + NADPH + oxygen + H+ → 3-hydroxyquinine + NADP+ + H2O

Reactions known to both consume and produce the compound:

cinchona alkaloids biosynthesis :
2 quinidinone + NADPH + 5 H+quinine + quinidine + NADP+

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

Inhibitor (Other types) of: L-sorbose dehydrogenase [Sugisawa91]


References

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

Sugisawa91: Sugisawa, T., Hoshino, T., Nomura, S., Fujiwara, A. (1991). "Isolation and characterization of membrane-bound L-sorbose dehydrogenase from Gluconobacter melanogenus UV10." Agric. Biol. Chem. 55(2): 363-370.


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, BIOCYC13A.