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ChEBI
> Main
CHEBI:16744 - pregna-4,9(11)-diene-3,20-dione
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ChEBI Ontology
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ChEBI Name
pregna-4,9(11)-diene-3,20-dione
ChEBI ID
CHEBI:16744
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:26229, CHEBI:8383, CHEBI:14878
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Formula
C21H28O2
Net Charge
0
Average Mass
312.44582
Monoisotopic Mass
312.20893
InChI
InChI=1S/C21H28O2/c1-
13(22)
17-
6-
7-
18-
16-
5-
4-
14-
12-
15(23)
8-
10-
20(14,2)
19(16)
9-
11-
21(17,18)
3/h9,12,16-
18H,4-
8,10-
11H2,1-
3H3/t16-
,17+,18-
,20-
,21+/m0/s1
InChIKey
LCXMRSLFWMMCAS-WRJHFWDFSA-N
SMILES
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
ChEBI Ontology
Outgoing
pregna-4,9(11)-diene-3,20-dione (
CHEBI:16744
)
has parent hydride
pregnane (
CHEBI:8386
)
pregna-4,9(11)-diene-3,20-dione (
CHEBI:16744
)
is a
20-oxo steroid (
CHEBI:36885
)
pregna-4,9(11)-diene-3,20-dione (
CHEBI:16744
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
pregna-4,9(11)-diene-3,20-dione (
CHEBI:16744
)
is a
C
21
-steroid (
CHEBI:61313
)
IUPAC Name
pregna-4,9(11)-diene-3,20-dione
Synonyms
Sources
Pregna-4,9(11)-diene-3,20-dione
KEGG COMPOUND
pregna-4,9(11)-diene-3,20-dione
UniProt
Manual Xref
Database
C04084
KEGG COMPOUND
View more database links
Last Modified
13 November 2017