RefMet Compound Details

MW structure	35315 (View MW Metabolite Database details)
RefMet name	Androstenediol
Systematic name	androst-5-en-3beta,17beta-diol
SMILES	C[C@]12CC[C@@H](CC1=CC[C@H]1[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]21)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 19:1;O2	View other entries in RefMet with this sum composition
Exact mass	290.224580 (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	C19H30O2	View other entries in RefMet with this formula
InChI	InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16- ,17-,18-,19-/m0/s1
InChIKey	QADHLRWLCPCEKT-LOVVWNRFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Pubchem CID	10634
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Androstenediol

Rxn ID	KEGG Reaction	Enzyme
R02499	Testosterone + H+ + NADH <=> Androstenediol + NAD+	Testosterone delta5-delat4-isomerase
R03406	Androstenediol + NAD+ <=> Dehydroepiandrosterone + NADH + H+	Androst-5-ene-3beta,17beta-diol:NAD+ oxidoreductase
R03407	Androstenediol + NADP+ <=> Dehydroepiandrosterone + NADPH + H+	Androst-5-ene-3beta,17beta-diol:NADP+ oxidoreductase

Table of KEGG human pathways containing Androstenediol

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	3