Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: taraxerol

Synonyms: D-friedoolean-14-en-3beta-ol

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

Citations: [Basyuni07]

Chemical Formula: C30H50O

Molecular Weight: 426.72 Daltons

Monoisotopic Molecular Weight: 426.3861662271 Daltons

SMILES: CC1(C)(CCC2(C)([CH](C1)C3(C)(C(=CC2)C4(C)([CH](CC3)C5(C)([CH](CC4)C(C)(C)C(O)CC5)))))

InChI: InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1

InChIKey: InChIKey=GGGUGZHBAOMSFJ-GADYQYKKSA-N

Unification Links: ChEBI:9402 , ChemSpider:83146 , HMDB:HMDB34920 , KEGG:C08637 , MetaboLights:MTBLC9402 , PubChem:92097

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 511.23608 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:

mangrove triterpenoid biosynthesis , pentacyclic triterpene biosynthesis :
(3S)-2,3-epoxy-2,3-dihydrosqualene → taraxerol

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

Credits:
Created 26-Jan-2011 by Pujar A , Boyce Thompson Institute


References

Basyuni07: Basyuni M, Oku H, Tsujimoto E, Kinjo K, Baba S, Takara K (2007). "Triterpene synthases from the Okinawan mangrove tribe, Rhizophoraceae." FEBS J 274(19);5028-42. PMID: 17803686

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 Sun Nov 23, 2014, BIOCYC13A.