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CHEBI:79822 - 21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione

Default Structure
ChEBI IDCHEBI:79822
ChEBI Name21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Stars
DownloadsMolfile
FormulaC22H31FO4
Net Charge0
Average Mass378.484
Monoisotopic Mass378.22064
SMILES[H][C@@]12CC[C@](O)(C(=O)CF)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@@]21C
InChIInChI=1S/C22H31FO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
InChIKeyAQKQDPGSWSFRHL-PJHHCJLFSA-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)
21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione (CHEBI:79822) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
21-Fluoro-11beta,17-dihydroxy-6alpha-methylprogesteroneKEGG COMPOUND
Manual XrefsDatabases
C15320KEGG COMPOUND