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

taraxerol compound structure

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


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 produce the compound:

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

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


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."

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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
Page generated by SRI International Pathway Tools version 19.0 on Fri Oct 9, 2015, BIOCYC11A.