RefMet Compound Details

MW structure	35417 (View MW Metabolite Database details)
RefMet name	Tetrahydrodeoxycorticosterone
SMILES	C[C@]12CC[C@H](C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)CC[C@H]21)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 21:1;O3	View other entries in RefMet with this sum composition
Exact mass	334.250795 (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	C21H34O3	View other entries in RefMet with this formula
InChI	InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+, 15-,16-,17-,18+,20-,21-/m0/s1
InChIKey	CYKYBWRSLLXBOW-GDYGHMJCSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Pubchem CID	101771
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Tetrahydrodeoxycorticosterone

Rxn ID	KEGG Reaction	Enzyme
R08955	5alpha-Dihydrodeoxycorticosterone + NADPH + H+ <=> Allotetrahydrodeoxycorticosterone + NADP+	3alpha,21-dihydroxy-5alpha-pregnan-20-one:NADP+ 3-oxidoreductase (A-specific)

Table of KEGG human pathways containing Tetrahydrodeoxycorticosterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	1