RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136021
RefMet name	Tetrahydrocortisone
Systematic name	(1S,2S,5S,7S,10S,11S,14R,15S)-5,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-17-one
Synonyms	PubChem Synonyms
Exact mass	364.224975 (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	C21H32O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37493 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2 H3/t12-,13-,14-,15-,18+,19-,20-,21-/m0/s1
InChIKey	SYGWGHVTLUBCEM-SDYDLROXSA-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)CC(=O)[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 Tetrahydrocortisone 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 Tetrahydrocortisone
External Links
Pubchem CID	12444617
KEGG ID	C05470
HMDB ID	HMDB0000903
Chemspider ID	16735652
MetaCyc ID	CORTISOL
EPA CompTox	DTXCID70810491
Spectral data for Tetrahydrocortisone standards
NP-MRD ID(NMR)	View NMR 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 Tetrahydrocortisone

Rxn ID	KEGG Reaction	Enzyme
R04829	Tetrahydrocortisone + NAD+ <=> 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione + NADH + H+	Urocortisone:NAD+ oxidoreductase (B-specific)
R04830	17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione + H+ + NADPH <=> Tetrahydrocortisone + NADP+	Urocortisone:NADP+ oxidoreductase (B-specific)

Table of KEGG human pathways containing Tetrahydrocortisone

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