EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79867 - 4-Pregnene-16alpha,21-diol-3,20-dione

ChEBI IDCHEBI:79867
ChEBI Name4-Pregnene-16alpha,21-diol-3,20-dione
Stars
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C21H30O4/c1-20-7-5-13(23)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-17(24)19(21)18(25)11-22/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16+,17-,19-,20+,21+/m1/s1
InChIKeyXSQXOTFDJSEPRD-ROVFHEEESA-N
ChEBI Ontology
Outgoing Relation(s)
4-Pregnene-16alpha,21-diol-3,20-dione (CHEBI:79867) is a 21-hydroxy steroid (CHEBI:35344)
Synonym  Source
16alpha,21-Dihydroxypregn-4-ene-3,20-dioneKEGG COMPOUND
Manual XrefsDatabases
C15365KEGG COMPOUND