RefMet Compound Details

MW structure36958 (View MW Metabolite Database details)
RefMet nameCholesterol sulfate
Systematic namecholest-5-en-3beta-yl hydrogen sulfate
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 27:1;O;S View other entries in RefMet with this sum composition
Exact mass466.311682 (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
FormulaC27H46O4SView other entries in RefMet with this formula
InChIKeyBHYOQNUELFTYRT-DPAQBDIFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSterols
Sub ClassCholesterols
Pubchem CID65076
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Cholesterol sulfate

Rxn IDKEGG ReactionEnzyme
R08941 Cholesterol + Sulfate <=> Cholesterol sulfate + H2OCholesterol-sulfate sulfohydrolase
R08977 Cholesterol + 3'-Phosphoadenylyl sulfate <=> Cholesterol sulfate + Adenosine 3',5'-bisphosphate3'-phosphoadenylyl-sulfate:cholesterol sulfotransferase

Table of KEGG human pathways containing Cholesterol sulfate

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 2