MetaCyc Compound: taraxasterol

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

Chemical Formula: C30H50O

Molecular Weight: 426.72 Daltons

Monoisotopic Molecular Weight: 426.3861662271 Daltons

taraxasterol compound structure

SMILES: C=C4(CCC5(C)(CCC2(C)([CH](CC[CH]1(C3(C)(CCC(O)C(C)(C)[CH](CCC(C)12)3)))[CH](C(C)4)5)))

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


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): 508.56607Inferred by computational analysis [Latendresse13]

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


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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