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CHEBI:16744 - pregna-4,9(11)-diene-3,20-dione

ChEBI IDCHEBI:16744
ChEBI Namepregna-4,9(11)-diene-3,20-dione
Stars
Secondary ChEBI IDsCHEBI:8383, CHEBI:14878, CHEBI:26229
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC=C1[C@@]3(C)CCC(=O)C=C3CC[C@]12[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/h9,12,16-18H,4-8,10-11H2,1-3H3/t16-,17+,18-,20-,21+/m0/s1
InChIKeyLCXMRSLFWMMCAS-WRJHFWDFSA-N
ChEBI Ontology
Outgoing Relation(s)
pregna-4,9(11)-diene-3,20-dione (CHEBI:16744) has parent hydride pregnane (CHEBI:8386)
pregna-4,9(11)-diene-3,20-dione (CHEBI:16744) is a 20-oxo steroid (CHEBI:36885)
pregna-4,9(11)-diene-3,20-dione (CHEBI:16744) is a 3-oxo-Δ4 steroid (CHEBI:47909)
pregna-4,9(11)-diene-3,20-dione (CHEBI:16744) is a C21-steroid (CHEBI:61313)
IUPAC Name 
pregna-4,9(11)-diene-3,20-dione
Synonym  Source
Pregna-4,9(11)-diene-3,20-dioneKEGG COMPOUND
UniProt Name  Source
pregna-4,9(11)-diene-3,20-dioneUniProt
Manual XrefsDatabases
C04084KEGG COMPOUND