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
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
twitter

MetaCyc Compound: (-)-patchoulol

Synonyms: patchouli alcohol

Superclasses: a lipid an isoprenoid a terpenoid a sesquiterpenoid
a secondary metabolite a terpenoid a sesquiterpenoid

Chemical Formula: C15H26O

Molecular Weight: 222.37 Daltons

Monoisotopic Molecular Weight: 222.1983654567 Daltons

SMILES: CC1(CCC3(O)(C(C)(C)C2(CCC(C)(C1C2)3)))

InChI: InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14-,15?/m0/s1

InChIKey: InChIKey=GGHMUJBZYLPWFD-DUNKBJDJSA-N

Unification Links: ChEBI:7940 , ChemSpider:390832 , KEGG:C09705 , PubChem:442384

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 232.99913 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

linoleate biosynthesis I (plants) :
oleoyl-CoA + a lipid + H+ → a lipid oleoyl-group + coenzyme A

Reactions known to produce the compound:

patchoulol biosynthesis :
(2E,6E)-farnesyl diphosphate + H2O → (-)-patchoulol + diphosphate

glutathione redox reactions I :
a lipid hydroperoxide + 2 glutathione + H+a lipid + glutathione disulfide + 2 H2O

Credits:
Revised 08-Dec-2010 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 Thu Nov 20, 2014, BIOCYC14B.