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CHEBI:230865 - 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate

Default Structure
ChEBI IDCHEBI:230865
ChEBI Name11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O6
Net Charge0
Average Mass404.503
Monoisotopic Mass404.21989
SMILESCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
InChIInChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3
InChIKeyALEXXDVDDISNDU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate (CHEBI:230865) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Manual XrefsDatabases
3515ChemSpider
HMDB0244374HMDB