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> Main
CHEBI:78595 - 21-dehydrocortisol
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ChEBI Ontology
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ChEBI Name
21-dehydrocortisol
ChEBI ID
CHEBI:78595
Definition
A C
21
-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-Δ
4
steroid (
CHEBI:47909
)
21-dehydrocortisol (
CHEBI:78595
)
is a
C
21
-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
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