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> Main
CHEBI:78596 - 21-dehydrocortisone
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ChEBI Name
21-dehydrocortisone
ChEBI ID
CHEBI:78596
Definition
A C
21
-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-Δ
4
steroid (
CHEBI:47909
)
21-dehydrocortisone (
CHEBI:78596
)
is a
C
21
-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