RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0018302
RefMet name	Tetrahydrocortisol
Systematic name	3alpha,11beta,17,21-tetrahydroxy-5beta-pregnan-20-one
Synonyms	PubChem Synonyms
Sum Composition	ST 21:1;O5	View other entries in RefMet with this sum composition
Exact mass	366.240625 (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	C21H34O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	35423 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2 H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
InChIKey	AODPIQQILQLWGS-GXBDJPPSSA-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@](C(=O)CO)([C@@]3(C)C[C@@H]([C@H]21)O)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 Tetrahydrocortisol 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 Tetrahydrocortisol
External Links
Pubchem CID	5864
LIPID MAPS	LMST02030143
ChEBI ID	28320
KEGG ID	C05472
HMDB ID	HMDB0000949
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 Tetrahydrocortisol

Rxn ID	KEGG Reaction	Enzyme
R04832	Urocortisol + NAD+ <=> 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione + NADH + H+	Urocortisol:NAD+ oxidoreductase (B-specific)
R04833	Urocortisol + NADP+ <=> 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione + NADPH + H+	Urocortisol:NADP+ oxidoreductase (B-specific)

Table of KEGG human pathways containing Tetrahydrocortisol

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	2