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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: taxusin

Synonyms: taxa-4(20),11-diene-5α,9α,10β,13α-tetrayl tetraacetate

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

Citations: [Chau04]

Chemical Formula: C28H40O8

Molecular Weight: 504.62 Daltons

Monoisotopic Molecular Weight: 504.2723182608 Daltons

SMILES: C=C1(C(CCC2(C)(C(C(C3(=C(C)C(CC(CC12)C(C)(C)3)OC(C)=O))OC(C)=O)OC(C)=O))OC(C)=O)

InChI: InChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20?,21?,22-,23-,25+,26-,28+/m0/s1

InChIKey: InChIKey=SKJSIVQEPKBFTJ-GSPJARFFSA-N

Unification Links: ChEBI:63664 , KEGG:C20152 , MetaboLights:MTBLC63664 , PubChem:167825

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 145.2148 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

2α,7β-dihydroxylation of taxusin :
taxusin + NADPH + oxygen + H+ → 2α-hydroxytaxusin + NADP+ + H2O
taxusin + NADPH + oxygen + H+ → 7β-hydroxytaxusin + NADP+ + H2O

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

Credits:
Created 05-Dec-2011 by Caspi R , SRI International


References

Chau04: Chau M, Jennewein S, Walker K, Croteau R (2004). "Taxol biosynthesis: Molecular cloning and characterization of a cytochrome P450 taxoid 7 beta-hydroxylase." Chem Biol 11(5);663-72. PMID: 15157877

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, biocyc14.