RefMet Compound Details

MW structure34963 (View MW Metabolite Database details)
RefMet nameIsofucosterol
Systematic name24Z-ethylidene-cholest-5-en-3beta-ol
SMILESC/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)\C(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 29:2;O View other entries in RefMet with this sum composition
Exact mass412.370515 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC29H48OView other entries in RefMet with this formula
InChIInChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,3
0H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyOSELKOCHBMDKEJ-WGMIZEQOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSterols
Sub ClassStigmasterols
Pubchem CID5281326
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Isofucosterol

Rxn IDKEGG ReactionEnzyme
R07488 Isofucosterol + NADPH + H+ <=> beta-Sitosterol + NADP+Isofucosterol + NADPH + H+ <=> beta-Sitosterol + NADP+
R07487 5-Dehydroavenasterol <=> Isofucosterol5-Dehydroavenasterol <=> Isofucosterol

Table of KEGG human pathways containing Isofucosterol

Pathway IDHuman Pathway# of reactions
hsa00100 Steroid biosynthesis 2
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