EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79443 - 9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione

ChEBI IDCHEBI:79443
ChEBI Name9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione
Stars
DownloadsMolfile
FormulaC22H29BrO3
Net Charge0
Average Mass421.375
Monoisotopic Mass420.13001
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1(Br)C(=O)C[C@]1(C)[C@@H](C(C)=O)[C@H](C)C[C@@]21[H]
InChIInChI=1S/C22H29BrO3/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/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1
InChIKeyCTHNQUQSBBJQFV-VMYXTEHFSA-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-16alpha-methyl-pregn-4-ene-3,11,20-trione (CHEBI:79443) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C14918KEGG COMPOUND