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CHEBI:78601 - 11,21-dioxoprogesterone

ChEBI IDCHEBI:78601
ChEBI Name11,21-dioxoprogesterone
Stars
DefinitionA C21-steroid that is progesterone carrying two additional oxo substituents at positions 11 and 21
Last Modified17 March 2016
Submitterlaimo
DownloadsMolfile
FormulaC21H26O4
Net Charge0
Average Mass342.435
Monoisotopic Mass342.18311
SMILES[H][C@@]12CC[C@]([H])(C(=O)C=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-16,19H,3-8,10H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1
InChIKeyGWUQLPRDKICNSB-KJQYFISQSA-N
ChEBI Ontology
Outgoing Relation(s)
11,21-dioxoprogesterone (CHEBI:78601) has functional parent progesterone (CHEBI:17026)
11,21-dioxoprogesterone (CHEBI:78601) has parent hydride 5α-pregnane (CHEBI:20656)
11,21-dioxoprogesterone (CHEBI:78601) is a 11-oxo steroid (CHEBI:47787)
11,21-dioxoprogesterone (CHEBI:78601) is a 20-oxo steroid (CHEBI:36885)
11,21-dioxoprogesterone (CHEBI:78601) is a 21-oxo steroid (CHEBI:36886)
11,21-dioxoprogesterone (CHEBI:78601) is a 3-oxo-Δ4 steroid (CHEBI:47909)
11,21-dioxoprogesterone (CHEBI:78601) is a C21-steroid (CHEBI:61313)
11,21-dioxoprogesterone (CHEBI:78601) is a steroid aldehyde (CHEBI:131565)
IUPAC Name 
3,11,20-trioxopregn-4-en-21-al
Synonym  Source
4-pregnen-3,11,20-trione-21-alSUBMITTER
UniProt Name  Source
pregn-4-ene-3,11,20,21-tetraoneUniProt
Registry NumbersSources
Reaxys:3167679Reaxys