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

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

SMILES: CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)C(O)CCC2(CC12CCC(C)34)5))))

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


Unification Links: PubChem:50986195

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 521.39386Inferred 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:
4α,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol + a methylated methyl donor = cycloartenol + a demethylated methyl donor
4α,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol = 4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol

Created 24-Nov-2010 by Dreher KA, TAIR


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."

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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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