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: 4α,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol

Synonyms: 31-norcycloartenol

Superclasses: a steroid

Chemical Formula: C29H48O

Molecular Weight: 412.7 Daltons

Monoisotopic Molecular Weight: 412.3705161629 Daltons

SMILES: CC(=CCCC(C2(C3(CCC45(C1(CCC(C(C1CCC(C(C)(CC2)3)4)C)O)C5))(C)))C)C

InChI: InChI=1S/C29H48O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h8,20-25,30H,7,9-18H2,1-6H3/t20-,21+,22?,23+,24+,25?,26-,27+,28?,29?/m1/s1

InChIKey: InChIKey=XZEUYTKSAYNYPK-ITXKMNLDSA-N

Unification Links: PubChem:50986195

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 499.2138 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

In Reactions of unknown directionality:

Not in pathways:
cycloartenol + a demethylated methyl acceptor = 4α,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol + a methylated methyl acceptor
4α,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol = 4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol

Credits:
Created 24-Nov-2010 by Dreher KA , TAIR


References

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 Wed Nov 26, 2014, biocyc13.