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cortisone (CHEBI:16962)

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ChEBI Name cortisone
ChEBI ID CHEBI:16962
Last Modified 17 October 2009
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3896, CHEBI:14026, CHEBI:23397, CHEBI:519463

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InChI
InChI=1/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
InChIKey=MFYSYFVPBJMHGN-ZPOLXVRWBW
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
Formula Source
C21H28O5 KEGG COMPOUND
Charge 0
Mass 360.44402
ChEBI Ontology
Tree view
Outgoing cortisone (CHEBI:16962) is a 3-oxo steroid (CHEBI:47788)
cortisone (CHEBI:16962) is a 11-oxo steroid (CHEBI:47787)
cortisone (CHEBI:16962) is a 20-oxo steroid (CHEBI:36885)
cortisone (CHEBI:16962) has parent hydride pregnane (CHEBI:8386)
cortisone (CHEBI:16962) is a 17α-hydroxy steroid (CHEBI:35342)
cortisone (CHEBI:16962) is a 21-hydroxy steroid (CHEBI:35344)
cortisone (CHEBI:16962) is a glucocorticoid (CHEBI:24261)
Incoming 4,5-dihydrocortisone (CHEBI:23736) 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
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
Database Links Databases
C00762 KEGG COMPOUND
LMST02030090 LIPID MAPS
519463 ChEMBL
Registry Numbers Types Sources
1356062 Beilstein Registry Number Beilstein
53-06-5 CAS Registry Number ChemIDplus
53-06-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
17827020 PubMed citation ChEMBL
18330978 PubMed citation ChEMBL

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