CHEBI:78595 - 21-dehydrocortisol

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ChEBI Name 21-dehydrocortisol
ChEBI ID CHEBI:78595
Definition A C21-steroid that is cortisol 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 C21H28O5
Net Charge 0
Average Mass 360.44400
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/h9,11,14-16,18,24,26H,3-8,10H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey JIELFMXLFHFDRT-VWUMJDOOSA-N
SMILES C[C@]12C[C@H](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-dehydrocortisol (CHEBI:78595) has functional parent progesterone (CHEBI:17026)
21-dehydrocortisol (CHEBI:78595) has parent hydride 5α-pregnane (CHEBI:20656)
21-dehydrocortisol (CHEBI:78595) is a 11β-hydroxy steroid (CHEBI:35346)
21-dehydrocortisol (CHEBI:78595) is a 17α-hydroxy steroid (CHEBI:35342)
21-dehydrocortisol (CHEBI:78595) is a 20-oxo steroid (CHEBI:36885)
21-dehydrocortisol (CHEBI:78595) is a 21-oxo steroid (CHEBI:36886)
21-dehydrocortisol (CHEBI:78595) is a 3-oxo-Δ4 steroid (CHEBI:47909)
21-dehydrocortisol (CHEBI:78595) is a C21-steroid (CHEBI:61313)
21-dehydrocortisol (CHEBI:78595) is a steroid aldehyde (CHEBI:131565)
21-dehydrocortisol (CHEBI:78595) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
(11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-al
Synonyms Sources
11β,17-dihydroxy-21-oxoprogesterone ChEBI
11β,17α-dihydroxypregn-4-en-3,20-dione-21-al ChEBI
11β,17α-dihydroxypregn-4-ene-3,20,21-trione UniProt
4-pregnen-11β,17α-diol-3,20-dione-21-al SUBMITTER
Registry Numbers Types Sources
14760-49-7 CAS Registry Number ChemIDplus
4564511 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1112882 PubMed citation Europe PMC
170263 PubMed citation Europe PMC
171488 PubMed citation Europe PMC
5413721 PubMed citation Europe PMC
5685579 PubMed citation Europe PMC
7098476 PubMed citation Europe PMC
7439163 PubMed citation Europe PMC
Last Modified
06 February 2018