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 C21-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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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-Δ5-steroid (CHEBI:47907)
pregn-5-ene-3,20-dione (CHEBI:63837) is a C21-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