EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79821 - 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

ChEBI IDCHEBI:79821
ChEBI Name9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
Stars
DownloadsMolfile
FormulaC22H29FO5
Net Charge0
Average Mass392.467
Monoisotopic Mass392.19990
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C22H29FO5/c1-12-8-16-14-5-7-21(28,18(27)11-24)20(14,3)10-17(26)22(16,23)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,24,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKeyAWFOJLJWZNBTBX-MJWISQFFSA-N
ChEBI Ontology
Outgoing Relation(s)
9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione (CHEBI:79821) is a 21-hydroxy steroid (CHEBI:35344)
Synonym  Source
9alpha-Fluoro-6alpha-methylprednisoloneKEGG COMPOUND
Manual XrefsDatabases
C15319KEGG COMPOUND