RefMet Compound Details

MW structure36953 (View MW Metabolite Database details)
RefMet nameDehydroepiandrosterone sulfate
Systematic name3beta-Hydroxyandrost-5-en-17-one 3-sulfate
SMILESC[C@]12CC[C@@H](CC1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21)OS(=O)(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 19:2;O2;S View other entries in RefMet with this sum composition
Exact mass368.165747 (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
FormulaC19H28O5SView other entries in RefMet with this formula
InChIKeyCZWCKYRVOZZJNM-USOAJAOKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSteroids
Sub ClassC19 Steroids
Pubchem CID12594
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Dehydroepiandrosterone sulfate

Rxn IDKEGG ReactionEnzyme
R03405 3'-Phosphoadenylyl sulfate + Dehydroepiandrosterone <=> Adenosine 3',5'-bisphosphate + Dehydroepiandrosterone sulfate3'-phosphoadenylylsulfate:alcohol sulfotransferase
R03404 Dehydroepiandrosterone sulfate + H2O <=> Dehydroepiandrosterone + Sulfate3beta-Hydroxyandrost-5-en-17-one 3-sulfate sulfohydrolase

Table of KEGG human pathways containing Dehydroepiandrosterone sulfate

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 2