Metabolic Modeling Tutorial
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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: 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 Sat Dec 20, 2014, BIOCYC14A.