EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183241 - (9xi,11beta,14xi)-11,21-Dihydroxypregn-4-ene-3,20-dione

ChEBI IDCHEBI:183241
ChEBI Name(9xi,11beta,14xi)-11,21-Dihydroxypregn-4-ene-3,20-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)C1C(O)C[C@@]1(C)C2CC[C@@H]1C(=O)CO
InChIInChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15?,16+,17?,19?,20-,21-/m0/s1
InChIKeyOMFXVFTZEKFJBZ-ZJMAIDJYSA-N
Species of MetaboliteComponentSourceComments
Anopheles gambiae (ncbitaxon:7165) Whole body (BTO:0001489) MetaboLights (MTBLS1282)
ChEBI Ontology
Outgoing Relation(s)
(9xi,11beta,14xi)-11,21-Dihydroxypregn-4-ene-3,20-dione (CHEBI:183241) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(8S,10R,11S,13S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
21498456ChemSpider