CHEBI:18204 - 16,17-didehydroprogesterone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16,17-didehydroprogesterone
ChEBI ID CHEBI:18204
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19157, CHEBI:11327, CHEBI:11328, CHEBI:764, CHEBI:19158
Supplier Information
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Formula C21H28O2
Net Charge 0
Average Mass 312.44582
Monoisotopic Mass 312.209
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/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
InChIKey VRRHHTISESGZFN-RKFFNLMFSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])C(C)=O
ChEBI Ontology
Outgoing 16,17-didehydroprogesterone (CHEBI:18204) has functional parent progesterone (CHEBI:17026)
16,17-didehydroprogesterone (CHEBI:18204) is a 20-oxo steroid (CHEBI:36885)
16,17-didehydroprogesterone (CHEBI:18204) is a 3-oxo Δ4-steroid (CHEBI:47909)
16,17-didehydroprogesterone (CHEBI:18204) is a enone (CHEBI:51689)
IUPAC Name
pregna-4,16-diene-3,20-dione
Synonyms Sources
16,17-Didehydroprogesterone KEGG COMPOUND
16-Dehydroprogesterone KEGG COMPOUND
3,20-dioxopregna-4,16-diene ChemIDplus
Δ4,16-pregnadiene-3,20-dione ChemIDplus
Database Link Database
C03207 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1017308 Beilstein Registry Number Beilstein
1096-38-4 CAS Registry Number KEGG COMPOUND
1096-38-4 CAS Registry Number ChemIDplus
Last Modified
15 July 2011