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CHEBI:79779 - 3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one

Default Structure
ChEBI IDCHEBI:79779
ChEBI Name3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Stars
DownloadsMolfile
FormulaC20H26O2
Net Charge0
Average Mass298.426
Monoisotopic Mass298.19328
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18-,19+,20-/m1/s1
InChIKeyHREDZMAPXFYEQW-LTFPLMDUSA-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)
3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one (CHEBI:79779) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C15277KEGG COMPOUND