RefMet Compound Details

MW structure	35401 (View MW Metabolite Database details)
RefMet name	Tetrahydrocorticosterone
Systematic name	3alpha,11beta,21-5alpha-trihydroxy-pregnane-20-one
SMILES	C[C@]12CC[C@H](C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)C[C@@H]([C@H]21)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 21:1;O4	View other entries in RefMet with this sum composition
Exact mass	350.245710 (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	C21H34O4	View other entries in RefMet with this formula
InChI	InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12 -,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1
InChIKey	RHQQHZQUAMFINJ-DTDWNVJFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C21 Steroids
Pubchem CID	65553
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Tetrahydrocorticosterone

Rxn ID	KEGG Reaction	Enzyme
R04837	Tetrahydrocorticosterone + NAD+ <=> 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione + NADH + H+	Tetrahydrocorticosterone:NAD+ oxidoreductase (B-specific)
R04838	Tetrahydrocorticosterone + NADP+ <=> 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione + NADPH + H+	Tetrahydrocorticosterone:NADP+ oxidoreductase (B-specific)
R04840	Tetrahydrocorticosterone + NADP+ <=> 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione + NADPH + H+	Tetrahydrocorticosterone:NADP+ 11-oxidoreductase

Table of KEGG human pathways containing Tetrahydrocorticosterone

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