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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2α-fluoro-17β-hydroxyandrost-4-en-3-one
ChEBI ID CHEBI:79778
ChEBI ASCII Name 2alpha-fluoro-17beta-hydroxyandrost-4-en-3-one
Definition An androstanoid that is androst-4-ene substituted by an α-fluoro group at position 2 and a β-hydroxy group at position 17.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H27FO2
Net Charge 0
Average Mass 306.41490
Monoisotopic Mass 306.19951
InChI InChI=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
InChIKey QRNFMYYNRYGOQD-JIEICEMKSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@]34C)[C@@H]1CC[C@@H]2O
ChEBI Ontology
Outgoing 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-Fluorotestosterone KEGG COMPOUND
Manual Xref Database
C15276 KEGG COMPOUND
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Registry Number Type Source
2625795 Reaxys Registry Number Reaxys
Last Modified
11 March 2015