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CHEBI:79803 - 2alpha-Methylpregn-4-ene-3,11,20-trione

ChEBI IDCHEBI:79803
ChEBI Name2alpha-Methylpregn-4-ene-3,11,20-trione
Stars
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILES[H][C@@]12CCC3=CC(=O)[C@H](C)C[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C22H30O3/c1-12-10-21(3)14(9-18(12)24)5-6-15-17-8-7-16(13(2)23)22(17,4)11-19(25)20(15)21/h9,12,15-17,20H,5-8,10-11H2,1-4H3/t12-,15+,16-,17+,20-,21+,22-/m1/s1
InChIKeyINESPPDNHLGBPH-PWJGREASSA-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)
2alpha-Methylpregn-4-ene-3,11,20-trione (CHEBI:79803) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
2alpha-Methyl-11-oxoprogesteroneKEGG COMPOUND
Manual XrefsDatabases
C15301KEGG COMPOUND