Metabolic Modeling Tutorial
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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
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 24-alkyl sterol 3

Superclasses: a steroid

Summary:
The authors have not named this compound and refer to all the products of this pathway as 24-alkyl sterol products [Neelakandan09].

Chemical Formula: C28H46O2

Molecular Weight: 414.67 Daltons

Monoisotopic Molecular Weight: 414.34978072079997 Daltons

SMILES: CCC(=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)CC(O)CC4)))))CO

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-

InChIKey: InChIKey=VEQLCAQNWTZKGV-ZBKNUEDVSA-N

Unification Links: PubChem:46173290

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 450.60257 Inferred 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

Reactions known to produce the compound:

26,27-dehydrozymosterol metabolism :
26,27-dehydrozymosterol + methanol + S-adenosyl-L-methionine + H+24-alkyl sterol 3 + S-adenosyl-L-homocysteine + methyl-group

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


References

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


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 Thu Nov 27, 2014, biocyc13.