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

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ChEBI Name 16β-fluoro-17β-hydroxyandrost-4-en-3-one propionate
ChEBI ID CHEBI:79755
ChEBI ASCII Name 16beta-fluoro-17beta-hydroxyandrost-4-en-3-one propionate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H31FO3
Net Charge 0
Average Mass 362.47810
Monoisotopic Mass 362.22572
InChI InChI=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
InChIKey AFBZBYQKIMBONK-RNXAVOFCSA-N
SMILES CCC(=O)O[C@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 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 propionate KEGG COMPOUND
Manual Xref Database
C15253 KEGG COMPOUND
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Last Modified
03 March 2015