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CHEBI:16962 - cortisone

Default Structure
ChEBI IDCHEBI:16962
ChEBI Namecortisone
Stars
DefinitionA C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20.
Secondary ChEBI IDsCHEBI:3896, CHEBI:14026, CHEBI:23397
Last Modified16 September 2021
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H28O5/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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKeyMFYSYFVPBJMHGN-ZPOLXVRWSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
cortisone (CHEBI:16962) has parent hydride pregnane (CHEBI:8386)
cortisone (CHEBI:16962) has role human metabolite (CHEBI:77746)
cortisone (CHEBI:16962) has role mouse metabolite (CHEBI:75771)
cortisone (CHEBI:16962) is a 11-oxo steroid (CHEBI:47787)
cortisone (CHEBI:16962) is a 17α-hydroxy steroid (CHEBI:35342)
cortisone (CHEBI:16962) is a 20-oxo steroid (CHEBI:36885)
cortisone (CHEBI:16962) is a 21-hydroxy steroid (CHEBI:35344)
cortisone (CHEBI:16962) is a 3-oxo-Δ4 steroid (CHEBI:47909)
cortisone (CHEBI:16962) is a C21-steroid (CHEBI:61313)
cortisone (CHEBI:16962) is a glucocorticoid (CHEBI:24261)
cortisone (CHEBI:16962) is a primary α-hydroxy ketone (CHEBI:139590)
cortisone (CHEBI:16962) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
20β-hydroxycortisone (CHEBI:178084) has functional parent cortisone (CHEBI:16962)
4,5-dihydrocortisone (CHEBI:23736) has functional parent cortisone (CHEBI:16962)
6β-hydroxycortisone (CHEBI:139269) has functional parent cortisone (CHEBI:16962)
hydrocortamate (CHEBI:50851) has functional parent cortisone (CHEBI:16962)
IUPAC Name 
17,21-dihydroxypregn-4-ene-3,11,20-trione
Synonyms  Source
11-dehydro-17-hydroxycorticosteroneChemIDplus
17alpha,21-Dihydroxy-4-pregnene-3,11,20-trioneKEGG COMPOUND
17-hydroxy-11-dehydrocorticosteroneChemIDplus
17α,21-dihydroxy-4-pregnene-3,11,20-trioneNIST Chemistry WebBook
4-pregnene-17α,21-diol-3,11,20-trioneNIST Chemistry WebBook
CortisonNIST Chemistry WebBook
UniProt Name  Source
cortisoneUniProt
Manual XrefsDatabases
C00762KEGG COMPOUND
CortisoneWikipedia
CORTISONEMetaCyc
D07749KEGG DRUG
HMDB0002802HMDB
LMST02030090LIPID MAPS
Registry NumbersSources
Reaxys:1356062Reaxys
CAS:53-06-5ChemIDplus
CAS:53-06-5KEGG COMPOUND
CAS:53-06-5NIST Chemistry WebBook
Citations