CHEBI:79505 - 3beta-Fluoro-5beta-pregnan-20-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta-Fluoro-5beta-pregnan-20-one
ChEBI ID CHEBI:79505
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H33FO
Net Charge 0
Average Mass 320.48450
Monoisotopic Mass 320.25154
InChI InChI=1S/C21H33FO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey QJXBAUPOZIECOH-GRWISUQFSA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 3beta-Fluoro-5beta-pregnan-20-one (CHEBI:79505) has parent hydride pregnane (CHEBI:8386)
3beta-Fluoro-5beta-pregnan-20-one (CHEBI:79505) is a steroid (CHEBI:35341)
Manual Xref Database
C14981 KEGG COMPOUND
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