CHEBI:78596 - 21-dehydrocortisone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 21-dehydrocortisone
ChEBI ID CHEBI:78596
Definition A C21-steroid that is cortisone in which the 21-hydroxy group has been oxidised to the corresponding aldehyde.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C21H26O5
Net Charge 0
Average Mass 358.42810
Monoisotopic Mass 358.17802
InChI InChI=1S/C21H26O5/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/h9,11,14-15,18,26H,3-8,10H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey DJLICGGNASJAQR-ZPOLXVRWSA-N
SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O
ChEBI Ontology
Outgoing 21-dehydrocortisone (CHEBI:78596) has functional parent progesterone (CHEBI:17026)
21-dehydrocortisone (CHEBI:78596) has parent hydride 5α-pregnane (CHEBI:20656)
21-dehydrocortisone (CHEBI:78596) is a 11-oxo steroid (CHEBI:47787)
21-dehydrocortisone (CHEBI:78596) is a 17α-hydroxy steroid (CHEBI:35342)
21-dehydrocortisone (CHEBI:78596) is a 20-oxo steroid (CHEBI:36885)
21-dehydrocortisone (CHEBI:78596) is a 21-oxo steroid (CHEBI:36886)
21-dehydrocortisone (CHEBI:78596) is a 3-oxo-Δ4 steroid (CHEBI:47909)
21-dehydrocortisone (CHEBI:78596) is a C21-steroid (CHEBI:61313)
21-dehydrocortisone (CHEBI:78596) is a steroid aldehyde (CHEBI:131565)
21-dehydrocortisone (CHEBI:78596) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
17-hydroxy-3,11,20-trioxopregn-4-en-21-al
Synonyms Sources
17α-hydroxypregn-4-en-3,11,20-trione-21-al UniProt
17α-hydroxypregn-4-en-3,11,20-trione-21-al ChEBI
4-pregnen-17α-ol-3,11,20-trione-21-al SUBMITTER
Registry Number Type Source
3170812 Reaxys Registry Number Reaxys
Last Modified
06 February 2018