CHEBI:178084 - 20β-hydroxycortisone

ChEBI IDCHEBI:178084
ChEBI Name20β-hydroxycortisone
Stars
ASCII Name20beta-hydroxycortisone
DefinitionA C21-steroid that is cortisone in which the oxo group at position 20 is replaced by a hydroxy group.
Last Modified16 September 2021
Submitterlaimo
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H30O5/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/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
InChIKeyXBIDABJJGYNJTK-GNIMZFFESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (3760056)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
20β-hydroxycortisone (CHEBI:178084) has functional parent cortisone (CHEBI:16962)
20β-hydroxycortisone (CHEBI:178084) has parent hydride pregnane (CHEBI:8386)
20β-hydroxycortisone (CHEBI:178084) has role human urinary metabolite (CHEBI:84087)
20β-hydroxycortisone (CHEBI:178084) is a 11-oxo steroid (CHEBI:47787)
20β-hydroxycortisone (CHEBI:178084) is a 17α-hydroxy steroid (CHEBI:35342)
20β-hydroxycortisone (CHEBI:178084) is a 20-hydroxy steroid (CHEBI:36854)
20β-hydroxycortisone (CHEBI:178084) is a 21-hydroxy steroid (CHEBI:35344)
20β-hydroxycortisone (CHEBI:178084) is a 3-oxo-Δ4 steroid (CHEBI:47909)
20β-hydroxycortisone (CHEBI:178084) is a C21-steroid (CHEBI:61313)
IUPAC Name 
(20R)-17,20,21-trihydroxypregn-4-ene-3,11-dione
Synonyms  Source
4-pregnene-17α,20β,21-triol-3,11-dioneSUBMITTER
17α,20β,21-trihydroxy-4-pregnene-3,11-dioneSUBMITTER
20β-dihydrocortisoneChemIDplus
Reichstein's substance UChemIDplus
UniProt Name  Source
20β-dihydrocortisoneUniProt
Manual XrefsDatabases
28475370ChemSpider
Registry NumbersSources
CAS:116-59-6ChemIDplus
Citations