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MetaCyc Compound: (-)-patchoulol

Synonyms: patchouli alcohol

Superclasses: a lipidan isoprenoida terpenoida sesquiterpenoid
a secondary metabolitea terpenoida 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

InChIKey: InChIKey=GGHMUJBZYLPWFD-DUNKBJDJSA-N

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

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

Reactions known to produce the compound:

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

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 Pathway Tools version 19.5 (software by SRI International) on Sat Apr 30, 2016, biocyc11.