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MetaCyc Compound: taraxerol

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

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

Citations: [Basyuni07a]

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

InChIKey: InChIKey=GGGUGZHBAOMSFJ-GADYQYKKSA-N

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

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): 511.23608Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

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

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


References

Basyuni07a: 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 Pathway Tools version 19.5 (software by SRI International) on Fri Apr 29, 2016, biocyc14.