RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0033790
RefMet name	Tetrahydrodeoxycorticosterone
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	35417 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Distribution of Tetrahydrodeoxycorticosterone 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 Tetrahydrodeoxycorticosterone
External Links
Pubchem CID	101771
LIPID MAPS	LMST05030013
ChEBI ID	34461
KEGG ID	C13713
HMDB ID	HMDB0000879
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 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