MetaCyc Compound: γ-patchoulene

Superclasses: a lipidan isoprenoida terpenoida sesquiterpenoid
a secondary metabolitea terpenoida sesquiterpenoid

Chemical Formula: C15H24

Molecular Weight: 204.36 Daltons

Monoisotopic Molecular Weight: 204.1878007704 Daltons

γ-patchoulene compound structure

SMILES: C[CH]2(CCC13(C(C)(C)[CH](C[CH]12)CCC(=C)3))

InChI: InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10,12-13H,2,5-9H2,1,3-4H3


Unification Links: ChemSpider:454723, PubChem:521302

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 289.55692Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

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


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
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