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CHEBI:79448 - 12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione

ChEBI IDCHEBI:79448
ChEBI Name12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione
Stars
DownloadsMolfile
FormulaC22H31ClO3
Net Charge0
Average Mass378.940
Monoisotopic Mass378.19617
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C[C@](O)(CCl)[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C22H31ClO3/c1-13(24)17-6-7-18-16-5-4-14-10-15(25)8-9-20(14,2)19(16)11-22(26,12-23)21(17,18)3/h10,16-19,26H,4-9,11-12H2,1-3H3/t16-,17+,18-,19-,20-,21+,22-/m0/s1
InChIKeyLSUMZADQUYYJTQ-VUIPWDCGSA-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)
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione (CHEBI:79448) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C14923KEGG COMPOUND