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CHEBI:177795 - clobetasone

ChEBI IDCHEBI:177795
ChEBI Nameclobetasone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26ClFO4
Net Charge0
Average Mass408.897
Monoisotopic Mass408.15037
SMILES[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)CC(=O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1
InChIKeyXXIFVOHLGBURIG-OZCCCYNHSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
clobetasone (CHEBI:177795) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-luoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
Manual XrefsDatabases
64482ChemSpider
DB13158DrugBank
D07717KEGG DRUG
Registry NumbersSources
CAS:54063-32-0ChemIDplus