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CHEBI:79673 - 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione

Default Structure
ChEBI IDCHEBI:79673
ChEBI Name9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione
Stars
DownloadsMolfile
FormulaC22H31BrO3
Net Charge0
Average Mass423.391
Monoisotopic Mass422.14566
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1(Br)[C@@H](O)C[C@]1(C)[C@@H](C(C)=O)[C@H](C)C[C@@]21[H]
InChIInChI=1S/C22H31BrO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-19,26H,5-9,11H2,1-4H3/t12-,16+,17+,18+,19-,20+,21+,22+/m1/s1
InChIKeySQLIUCAXJYQFID-GAYBOGBZSA-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)
9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione (CHEBI:79673) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C15155KEGG COMPOUND