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ChEBI
> Main
CHEBI:63837 - pregn-5-ene-3,20-dione
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ChEBI Name
pregn-5-ene-3,20-dione
ChEBI ID
CHEBI:63837
Definition
A C
21
-steroid that is pregnane which contains a double bond between positions 5 and 6 and is substituted by oxo groups at positions 3 and 20.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H30O2
Net Charge
0
Average Mass
314.46170
Monoisotopic Mass
314.22458
InChI
InChI=1S/C21H30O2/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/h4,16-
19H,5-
12H2,1-
3H3/t16-
,17+,18-
,19-
,20-
,21+/m0/s1
InChIKey
MNRHZPCIEGLWGK-LEKSSAKUSA-N
SMILES
[H][C@@]12CC=C3CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
ChEBI Ontology
Outgoing
pregn-5-ene-3,20-dione (
CHEBI:63837
)
has parent hydride
pregnane (
CHEBI:8386
)
pregn-5-ene-3,20-dione (
CHEBI:63837
)
is a
20-oxo steroid (
CHEBI:36885
)
pregn-5-ene-3,20-dione (
CHEBI:63837
)
is a
3-oxo-Δ
5
-steroid (
CHEBI:47907
)
pregn-5-ene-3,20-dione (
CHEBI:63837
)
is a
C
21
-steroid (
CHEBI:61313
)
IUPAC Name
pregn-5-ene-3,20-dione
Synonyms
Sources
5-pregnene-3,20-dione
ChEBI
pregn-5-ene-3,20-dione
UniProt
Registry Numbers
Types
Sources
1236-09-5
CAS Registry Number
ChemIDplus
3102499
Reaxys Registry Number
Reaxys
3102499
Beilstein Registry Number
ChemIDplus
Last Modified
24 October 2018