RefMet Compound Details

MW structure34947 (View MW Metabolite Database details)
RefMet nameSitosterol
Systematic namestigmast-5-en-3beta-ol
SMILESCC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 29:1;O View other entries in RefMet with this sum composition
Exact mass414.386165 (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
FormulaC29H50OView other entries in RefMet with this formula
InChIKeyKZJWDPNRJALLNS-VJSFXXLFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSterols
Sub ClassStigmasterols
Pubchem CID222284
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Sitosterol

Rxn IDKEGG ReactionEnzyme
R07488 Isofucosterol + NADPH + H+ <=> beta-Sitosterol + NADP+Isofucosterol + NADPH + H+ <=> beta-Sitosterol + NADP+

Table of KEGG human pathways containing Sitosterol

Pathway IDHuman Pathway# of reactions
hsa00100 Steroid biosynthesis 1