RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0128355
RefMet name	Tetrahydrocorticosterone
Systematic name	3alpha,11beta,21-5alpha-trihydroxy-pregnane-20-one
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	35401 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C21 Steroids
Distribution of Tetrahydrocorticosterone 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 Tetrahydrocorticosterone
External Links
Pubchem CID	65553
LIPID MAPS	LMST02030100
ChEBI ID	9481
KEGG ID	C05476
HMDB ID	HMDB0000268
Spectral data for Tetrahydrocorticosterone standards
MassBank(EU)	View MS spectra
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 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