CHEBI:16962 - cortisone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cortisone
ChEBI ID CHEBI:16962
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3896, CHEBI:23397, CHEBI:14026
Supplier Information ChemicalBook:CB6413305, eMolecules:29503844, eMolecules:493549, ZINC000004083557
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C21H28O5
Net Charge 0
Average Mass 360.44402
Monoisotopic Mass 360.19367
InChI InChI=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
InChIKey MFYSYFVPBJMHGN-ZPOLXVRWSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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.
(via steroid hormone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
11-dehydro-17-hydroxycorticosterone ChemIDplus
17-hydroxy-11-dehydrocorticosterone ChemIDplus
17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione KEGG COMPOUND
17α,21-dihydroxy-4-pregnene-3,11,20-trione NIST Chemistry WebBook
4-pregnene-17α,21-diol-3,11,20-trione NIST Chemistry WebBook
Cortison NIST Chemistry WebBook
Cortisone KEGG COMPOUND
cortisone UniProt
Δ4-pregnene-17α,21-diol-3,11,20-trione ChEBI
Kendall's compound E KEGG COMPOUND
Kortison ChEBI
pregn-4-en-17α,21-diol-3,11,20-trione NIST Chemistry WebBook
Reichstein's substance Fa KEGG COMPOUND
Wintersteiner's compound F ChemIDplus
Manual Xrefs Databases
C00762 KEGG COMPOUND
Cortisone Wikipedia
CORTISONE MetaCyc
D07749 KEGG DRUG
HMDB0002802 HMDB
LMST02030090 LIPID MAPS
View more database links
Registry Numbers Types Sources
1356062 Reaxys Registry Number Reaxys
53-06-5 CAS Registry Number ChemIDplus
53-06-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations
Last Modified
16 September 2021