RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135763
RefMet name	16alpha-Hydroxydehydroepiandrosterone
Systematic name	3beta,16alpha-dihydroxy-5-androsten-17-one
Synonyms	PubChem Synonyms
Exact mass	304.203846 (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	C19H28O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	35345 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	QQIVKFZWLZJXJT-DNKQKWOHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12CC[C@@H](CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](C2=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 16alpha-Hydroxydehydroepiandrosterone 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 16alpha-Hydroxydehydroepiandrosterone
External Links
Pubchem CID	102030
LIPID MAPS	LMST02020064
ChEBI ID	27771
KEGG ID	C05139
HMDB ID	HMDB0000352
Chemspider ID	92168
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 16alpha-Hydroxydehydroepiandrosterone

Rxn ID	KEGG Reaction	Enzyme
R03408	Dehydroepiandrosterone + H+ + Oxygen + NADPH <=> 16alpha-Hydroxydehydroepiandrosterone + NADP+ + H2O	Dehydroepiandrosterone + H+ + Oxygen + NADPH <=> 16alpha-Hydroxydehydroepiandrosterone + NADP+ + H2O
R04678	16alpha-Hydroxyandrost-4-ene-3,17-dione + H+ + NADH <=> 16alpha-Hydroxydehydroepiandrosterone + NAD+	16alpha-Hydroxyandrost-4-ene-3,17-dione delta5-delat4-isomerase

Table of KEGG human pathways containing 16alpha-Hydroxydehydroepiandrosterone

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