RefMet Compound Details

MW structure	35325 (View MW Metabolite Database details)
RefMet name	Dehydroepiandrosterone
Systematic name	3beta-hydroxyandrost-5-en-17-one
SMILES	C[C@]12CC[C@@H](CC1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 19:2;O2	View other entries in RefMet with this sum composition
Exact mass	288.208930 (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	C19H28O2	View other entries in RefMet with this formula
InChI	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18 -,19-/m0/s1
InChIKey	FMGSKLZLMKYGDP-USOAJAOKSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Pubchem CID	5881
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Dehydroepiandrosterone

Rxn ID	KEGG Reaction	Enzyme
R03404	Dehydroepiandrosterone sulfate + H2O <=> Dehydroepiandrosterone + Sulfate	3beta-Hydroxyandrost-5-en-17-one 3-sulfate sulfohydrolase
R08517	17alpha-Hydroxypregnenolone + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Dehydroepiandrosterone + Acetate + [Oxidized NADPH---hemoprotein reductase] + H2O	17alpha-Hydroxypregnenolone,NADPH---hemoprotein reductase:oxygen oxidoreductase (17alpha-hydroxylating, acetate-releasing)
R03406	Androstenediol + NAD+ <=> Dehydroepiandrosterone + NADH + H+	Androst-5-ene-3beta,17beta-diol:NAD+ oxidoreductase
R01837	Dehydroepiandrosterone + NAD+ <=> Androstenedione + NADH + H+	3beta-Hydroxyandrost-5-en-17-one:NAD+ 3-oxidoreductase/delta5-delta-4 isomerase
R03405	3'-Phosphoadenylyl sulfate + Dehydroepiandrosterone <=> Adenosine 3',5'-bisphosphate + Dehydroepiandrosterone sulfate	3'-phosphoadenylylsulfate:alcohol sulfotransferase
R03408	Dehydroepiandrosterone + H+ + Oxygen + NADPH <=> 16alpha-Hydroxydehydroepiandrosterone + NADP+ + H2O	Dehydroepiandrosterone + H+ + Oxygen + NADPH <=> 16alpha-Hydroxydehydroepiandrosterone + NADP+ + H2O
R03407	Androstenediol + NADP+ <=> Dehydroepiandrosterone + NADPH + H+	Androst-5-ene-3beta,17beta-diol:NADP+ oxidoreductase
R08961	Dehydroepiandrosterone + Oxygen + [Reduced NADPH---hemoprotein reductase] <=> 7alpha-Hydroxydehydroepiandrosterone + [Oxidized NADPH---hemoprotein reductase] + H2O	dehydroepiandrosterone,NADPH-hemoprotein reductase:oxygen oxidoreductase (7alpha-hydroxylating)

Table of KEGG human pathways containing Dehydroepiandrosterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	8