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CHEBI:18204 - 16,17-didehydroprogesterone

ChEBI IDCHEBI:18204
ChEBI Name16,17-didehydroprogesterone
Stars
Secondary ChEBI IDsCHEBI:764, CHEBI:11327, CHEBI:11328, CHEBI:19157, CHEBI:19158
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(C(C)=O)=CC[C@@]21[H]
InChIInChI=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
InChIKeyVRRHHTISESGZFN-RKFFNLMFSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
16-DehydroprogesteroneKEGG COMPOUND
16,17-DidehydroprogesteroneKEGG COMPOUND
3,20-dioxopregna-4,16-dieneChemIDplus
Δ4,16-pregnadiene-3,20-dioneChemIDplus
UniProt Name  Source
16,17-didehydroprogesteroneUniProt
Manual XrefsDatabases
C03207KEGG COMPOUND
Registry NumbersSources
Beilstein:1017308Beilstein
CAS:1096-38-4KEGG COMPOUND
CAS:1096-38-4ChemIDplus