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CHEBI:79778 - 2α-fluoro-17β-hydroxyandrost-4-en-3-one

ChEBI IDCHEBI:79778
ChEBI Name2α-fluoro-17β-hydroxyandrost-4-en-3-one
Stars
ASCII Name2alpha-fluoro-17beta-hydroxyandrost-4-en-3-one
DefinitionAn androstanoid that is androst-4-ene substituted by an α-fluoro group at position 2 and a β-hydroxy group at position 17.
Last Modified11 March 2015
DownloadsMolfile
FormulaC19H27FO2
Net Charge0
Average Mass306.421
Monoisotopic Mass306.19951
SMILES[H][C@@]12CCC3=CC(=O)[C@H](F)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H27FO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-16(21)15(20)10-19(11,14)2/h9,12-15,17,22H,3-8,10H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1
InChIKeyQRNFMYYNRYGOQD-JIEICEMKSA-N
ChEBI Ontology
Outgoing Relation(s)
2α-fluoro-17β-hydroxyandrost-4-en-3-one (CHEBI:79778) has functional parent testosterone (CHEBI:17347)
2α-fluoro-17β-hydroxyandrost-4-en-3-one (CHEBI:79778) is a 17β-hydroxy steroid (CHEBI:35343)
2α-fluoro-17β-hydroxyandrost-4-en-3-one (CHEBI:79778) is a 3-oxo-Δ4 steroid (CHEBI:47909)
2α-fluoro-17β-hydroxyandrost-4-en-3-one (CHEBI:79778) is a androstanoid (CHEBI:50402)
2α-fluoro-17β-hydroxyandrost-4-en-3-one (CHEBI:79778) is a fluorinated steroid (CHEBI:50830)
Synonym  Source
2alpha-FluorotestosteroneKEGG COMPOUND
Manual XrefsDatabases
C15276KEGG COMPOUND
Registry NumbersSources
Reaxys:2625795Reaxys