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CHEBI:79591 - 6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione

Default Structure
ChEBI IDCHEBI:79591
ChEBI Name6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione
Stars
DownloadsMolfile
FormulaC21H31FO3
Net Charge0
Average Mass350.474
Monoisotopic Mass350.22572
SMILES[H][C@@]12C[C@@H](F)[C@@]3(O)CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C21H31FO3/c1-12(23)15-4-5-16-14-10-18(22)21(25)11-13(24)6-9-20(21,3)17(14)7-8-19(15,16)2/h14-18,25H,4-11H2,1-3H3/t14-,15+,16-,17-,18+,19+,20+,21-/m0/s1
InChIKeyQGTYZUYXCSOOSC-RENSIRAGSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione (CHEBI:79591) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C15071KEGG COMPOUND