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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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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 Sun Dec 21, 2014, biocyc13.