EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:34354 - 3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione

ChEBI IDCHEBI:34354
ChEBI Name3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(C)=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1
InChIKeyAYEXSTRNLGYBSQ-YOBHSKELSA-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)
3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione (CHEBI:34354) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dioneKEGG COMPOUND
17alpha-Hydroxy-11-ketopregnanoloneKEGG COMPOUND
Manual XrefsDatabases
C14598KEGG COMPOUND
Registry NumbersSources
CAS:641-78-1KEGG COMPOUND