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ChEBI
> Main
CHEBI:78601 - 11,21-dioxoprogesterone
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ChEBI Ontology
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ChEBI Name
11,21-dioxoprogesterone
ChEBI ID
CHEBI:78601
Definition
A C
21
-steroid that is progesterone carrying two additional oxo substituents at positions 11 and 21
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
Supplier Information
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Formula
C21H26O4
Net Charge
0
Average Mass
342.42870
Monoisotopic Mass
342.18311
InChI
InChI=1S/C21H26O4/c1-
20-
8-
7-
13(23)
9-
12(20)
3-
4-
14-
15-
5-
6-
16(18(25)
11-
22)
21(15,2)
10-
17(24)
19(14)
20/h9,11,14-
16,19H,3-
8,10H2,1-
2H3/t14-
,15-
,16+,19+,20-
,21-
/m0/s1
InChIKey
GWUQLPRDKICNSB-KJQYFISQSA-N
SMILES
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
ChEBI Ontology
Outgoing
11,21-dioxoprogesterone (
CHEBI:78601
)
has functional parent
progesterone (
CHEBI:17026
)
11,21-dioxoprogesterone (
CHEBI:78601
)
has parent hydride
5α-pregnane (
CHEBI:20656
)
11,21-dioxoprogesterone (
CHEBI:78601
)
is a
11-oxo steroid (
CHEBI:47787
)
11,21-dioxoprogesterone (
CHEBI:78601
)
is a
20-oxo steroid (
CHEBI:36885
)
11,21-dioxoprogesterone (
CHEBI:78601
)
is a
21-oxo steroid (
CHEBI:36886
)
11,21-dioxoprogesterone (
CHEBI:78601
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
11,21-dioxoprogesterone (
CHEBI:78601
)
is a
C
21
-steroid (
CHEBI:61313
)
11,21-dioxoprogesterone (
CHEBI:78601
)
is a
steroid aldehyde (
CHEBI:131565
)
IUPAC Name
3,11,20-trioxopregn-4-en-21-al
Synonyms
Sources
4-pregnen-3,11,20-trione-21-al
SUBMITTER
pregn-4-ene-3,11,20,21-tetraone
UniProt
Registry Number
Type
Source
3167679
Reaxys Registry Number
Reaxys
Last Modified
17 March 2016