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CHEBI:78595 - 21-dehydrocortisol

ChEBI IDCHEBI:78595
ChEBI Name21-dehydrocortisol
Stars
DefinitionA C21-steroid that is cortisol in which the 21-hydroxy group has been oxidised to the corresponding aldehyde.
Last Modified6 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILES[H][C@@]12CC[C@](O)(C(=O)C=O)[C@@]1(C)C[C@H](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/h9,11,14-16,18,24,26H,3-8,10H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKeyJIELFMXLFHFDRT-VWUMJDOOSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
11β,17-dihydroxy-21-oxoprogesteroneChEBI
11β,17α-dihydroxypregn-4-en-3,20-dione-21-alChEBI
4-pregnen-11β,17α-diol-3,20-dione-21-alSUBMITTER
UniProt Name  Source
11β,17α-dihydroxypregn-4-ene-3,20,21-trioneUniProt
Registry NumbersSources
Reaxys:4564511Reaxys
CAS:14760-49-7ChemIDplus
Citations