MetaCyc Compound: 26-hydroxy-27-methyl-zymosterol

Superclasses: a steroid

Citations: [Neelakandan09]

Chemical Formula: C28H46O2

Molecular Weight: 414.67 Daltons

Monoisotopic Molecular Weight: 414.34978072079997 Daltons

26-hydroxy-27-methyl-zymosterol compound structure

SMILES: CCC(CO)=CCCC(C)[CH]2(CC[CH]1(C3(CC[CH]4(CC(O)CCC(C)(C(CCC(C)12)=3)4))))

InChI: InChI=1S/C28H46O2/c1-5-20(18-29)8-6-7-19(2)24-11-12-25-23-10-9-21-17-22(30)13-15-27(21,3)26(23)14-16-28(24,25)4/h8,19,21-22,24-25,29-30H,5-7,9-18H2,1-4H3/b20-8-/t19-,21+,22+,24-,25+,27+,28-/m1/s1


Unification Links: PubChem:91820109

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 450.60257Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
a steroid + 2 a reduced adrenodoxin + oxygen + 2 H+ → an 11-β-hydroxysteroid + 2 an oxidized adrenodoxin + H2O

Created 04-Feb-2010 by Pujar A, Boyce Thompson Institute


Chiang08: Chiang YR, Ismail W, Heintz D, Schaeffer C, Van Dorsselaer A, Fuchs G (2008). "Study of anoxic and oxic cholesterol metabolism by Sterolibacterium denitrificans." J Bacteriol 190(3);905-14. PMID: 18039763

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Neelakandan09: Neelakandan AK, Song Z, Wang J, Richards MH, Wu X, Valliyodan B, Nguyen HT, Nes WD (2009). "Cloning, functional expression and phylogenetic analysis of plant sterol 24C-methyltransferases involved in sitosterol biosynthesis." Phytochemistry 70(17-18);1982-98. PMID: 19818974

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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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