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

(-)-patchoulol compound structure

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


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 produce the compound:

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

Revised 08-Dec-2010 by Caspi R , SRI International


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

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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 19.0 on Fri Oct 9, 2015, biocyc13.