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CHEBI:79447 - 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate

ChEBI IDCHEBI:79447
ChEBI Name15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate
Stars
DownloadsMolfile
FormulaC23H32O4S
Net Charge0
Average Mass404.572
Monoisotopic Mass404.20213
SMILES[H][C@]12CC[C@]3(C)[C@@H](C(C)=O)C[C@@H](O)[C@@]3([H])[C@]1([H])[C@H](SC(C)=O)CC1=CC(=O)CC[C@@]12C
InChIInChI=1S/C23H32O4S/c1-12(24)17-11-18(27)21-20-16(6-8-23(17,21)4)22(3)7-5-15(26)9-14(22)10-19(20)28-13(2)25/h9,16-21,27H,5-8,10-11H2,1-4H3/t16-,17+,18+,19+,20-,21-,22-,23+/m0/s1
InChIKeyYYFCRMZCEYYPDO-SSKFVTQDSA-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)
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate (CHEBI:79447) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C14922KEGG COMPOUND