MetaCyc Compound: taxusin

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

Superclasses: a lipidan isoprenoida terpenoid
a secondary metabolitea terpenoid

Citations: [Chau04]

Chemical Formula: C28H40O8

Molecular Weight: 504.62 Daltons

Monoisotopic Molecular Weight: 504.2723182608 Daltons

taxusin compound structure

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


Unification Links: ChEBI:63664, KEGG:C20152, MetaboLights:MTBLC63664, PubChem:90658612

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 145.2148Inferred 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

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


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."

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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
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