EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79755 - 16β-fluoro-17β-hydroxyandrost-4-en-3-one propionate

ChEBI IDCHEBI:79755
ChEBI Name16β-fluoro-17β-hydroxyandrost-4-en-3-one propionate
Stars
ASCII Name16beta-fluoro-17beta-hydroxyandrost-4-en-3-one propionate
DefinitionA steroid ester that is androst-4-en-17β-yl propanoate substituted by an oxo group at position 3 and a fluoro group at position 17.
Last Modified3 March 2015
DownloadsMolfile
FormulaC22H31FO3
Net Charge0
Average Mass362.485
Monoisotopic Mass362.22572
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CC)[C@@H](F)C[C@@]21[H]
InChIInChI=1S/C22H31FO3/c1-4-19(25)26-20-18(23)12-17-15-6-5-13-11-14(24)7-9-21(13,2)16(15)8-10-22(17,20)3/h11,15-18,20H,4-10,12H2,1-3H3/t15-,16+,17+,18+,20+,21+,22+/m1/s1
InChIKeyAFBZBYQKIMBONK-RNXAVOFCSA-N
ChEBI Ontology
Outgoing Relation(s)
16β-fluoro-17β-hydroxyandrost-4-en-3-one propionate (CHEBI:79755) has functional parent testosterone (CHEBI:17347)
16β-fluoro-17β-hydroxyandrost-4-en-3-one propionate (CHEBI:79755) is a 3-oxo-Δ4 steroid (CHEBI:47909)
16β-fluoro-17β-hydroxyandrost-4-en-3-one propionate (CHEBI:79755) is a fluorinated steroid (CHEBI:50830)
16β-fluoro-17β-hydroxyandrost-4-en-3-one propionate (CHEBI:79755) is a steroid ester (CHEBI:47880)
IUPAC Name 
16β-fluoro-3-oxoandrost-4-en-17β-yl propanoate
Synonym  Source
16beta-Fluorotestosterone propionateKEGG COMPOUND
Manual XrefsDatabases
C15253KEGG COMPOUND