EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79812 - 6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate

ChEBI IDCHEBI:79812
ChEBI Name6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate
Stars
DownloadsMolfile
FormulaC23H31FO4
Net Charge0
Average Mass390.495
Monoisotopic Mass390.22064
SMILES[H][C@@]12C[C@H](F)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(C)=O)C(C)=O
InChIInChI=1S/C23H31FO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1
InChIKeyZPTTUFVORSZZFO-WXLIAARGSA-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)
6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate (CHEBI:79812) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C15310KEGG COMPOUND