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: L-quinate

Synonyms: (-)-quinic acid, (-)-quinate

Chemical Formula: C7H11O6

Molecular Weight: 191.16 Daltons

Monoisotopic Molecular Weight: 192.0633881178 Daltons

SMILES: C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)

InChI: InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/p-1/t3-,4-,5-,7+/m1/s1

InChIKey: InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M

Unification Links: CAS:77-95-2 , ChEBI:29751 , ChemSpider:1272058 , KEGG:C00296 , PubChem:1560034

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -108.37975 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

chlorogenic acid biosynthesis I , chlorogenic acid biosynthesis II , phenylpropanoid biosynthesis :
4-coumaryl-CoA + L-quinatetrans-5-O-(4-coumaroyl)-D-quinate + coenzyme A

quinate degradation I :
L-quinate + a quinone → 3-dehydroquinate + a quinol

quinate degradation II :
L-quinate + NAD+ → 3-dehydroquinate + NADH + H+

Reactions known to produce the compound:

caffeoylglucarate biosynthesis :
D-glucarate + trans-5-O-caffeoyl-D-quinate → 2-O-caffeoylglucarate + L-quinate

chlorogenic acid degradation :
trans-5-O-caffeoyl-D-quinate + H2O → caffeate + L-quinate + H+

Reactions known to both consume and produce the compound:

caffeoylglucarate biosynthesis , chlorogenic acid biosynthesis I , phenylpropanoid biosynthesis :
trans-5-O-caffeoyl-D-quinate + coenzyme A ↔ caffeoyl-CoA + L-quinate

In Reactions of unknown directionality:

Not in pathways:
L-quinate + NAD(P)+ = 3-dehydroquinate + NAD(P)H + H+
feruloyl-CoA + L-quinate = O-feruloylquinate + coenzyme A

Credits:
Revised 19-Aug-2009 by Caspi R , SRI International


References

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


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 Sun Nov 23, 2014, biocyc14.