RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0028118
RefMet name	Dehydroepiandrosterone sulfate
Systematic name	3beta-Hydroxyandrost-5-en-17-one 3-sulfate
Synonyms	PubChem Synonyms
Sum Composition	ST 19:2;O2;S	View other entries in RefMet with this sum composition
Exact mass	368.165747 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C19H28O5S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	36953 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22, 23)/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKey	CZWCKYRVOZZJNM-USOAJAOKSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[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)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Distribution of Dehydroepiandrosterone sulfate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Dehydroepiandrosterone sulfate
External Links
Pubchem CID	12594
LIPID MAPS	LMST05020010
ChEBI ID	16814
KEGG ID	C04555
HMDB ID	HMDB0001032
Chemspider ID	12074
MetaCyc ID	BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Dehydroepiandrosterone sulfate

Rxn ID	KEGG Reaction	Enzyme
R03404	Dehydroepiandrosterone sulfate + H2O <=> Dehydroepiandrosterone + Sulfate	3beta-Hydroxyandrost-5-en-17-one 3-sulfate sulfohydrolase
R03405	3'-Phosphoadenylyl sulfate + Dehydroepiandrosterone <=> Adenosine 3',5'-bisphosphate + Dehydroepiandrosterone sulfate	3'-phosphoadenylylsulfate:alcohol sulfotransferase

Table of KEGG human pathways containing Dehydroepiandrosterone sulfate

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	2