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MetaCyc Compound: taraxasterol

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

Chemical Formula: C30H50O

Molecular Weight: 426.72 Daltons

Monoisotopic Molecular Weight: 426.3861662271 Daltons

taraxasterol compound structure

SMILES: C=C1(CCC2(CCC3(C4(CCC5(C(C(CCC(C(CCC(C(C(C)1)2)3)4)5C)O)(C)C))C)C)C)

InChI: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22?,23?,24+,25?,27-,28+,29-,30-/m1/s1

InChIKey: InChIKey=XWMMEBCFHUKHEX-VPUBHQHASA-N

Unification Links: ChEBI:9401 , ChemSpider:20113316 , HMDB:HMDB35920 , KEGG:C08636 , LIPID MAPS:LMPR0106180006 , MetaboLights:MTBLC9401 , PubChem:5270604

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 508.56607 Inferred by computational analysis [Latendresse13]

This compound has been characterized as an alternative substrate of the following enzymes: α-amyrin synthase , lupeol synthase , α-amyrin synthase


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 19.0 on Fri May 22, 2015, BIOCYC14B.