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Metabolic Modeling Tutorial
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ends Feb 21th, 2015
Metabolic Modeling Tutorial
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ends Feb 21th, 2015
Metabolic Modeling Tutorial
early discounted registration
ends Feb 21th, 2015
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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

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]

Reactions known to consume the compound:

linoleate biosynthesis I (plants) :
oleoyl-CoA + a lipid + H+ → a lipid oleoyl-group + coenzyme A

Reactions known to produce the compound:

glutathione redox reactions I :
a lipid hydroperoxide + 2 glutathione + H+a lipid + glutathione disulfide + 2 H2O


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 18.5 on Thu Jan 29, 2015, BIOCYC14B.