CHEBI:79416 - 5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate
ChEBI ID CHEBI:79416
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H31FO3
Net Charge 0
Average Mass 350.46740
Monoisotopic Mass 350.22572
InChI InChI=1S/C21H31FO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1
InChIKey WACIVNIHJKQSFP-NSFMUAGPSA-N
SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate (CHEBI:79416) is a 3-oxo-5α-steroid (CHEBI:13601)
5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate (CHEBI:79416) is a steroid ester (CHEBI:47880)
Synonym Source
(2beta,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one KEGG COMPOUND
Manual Xref Database
C14889 KEGG COMPOUND
View more database links
Last Modified
26 April 2017