EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79693 - 17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one

ChEBI IDCHEBI:79693
ChEBI Name17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Stars
Last Modified13 March 2023
DownloadsMolfile
FormulaC20H31NO2
Net Charge0
Average Mass317.473
Monoisotopic Mass317.23548
SMILES[H][C@@]12CC=C3N(C)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C)O
InChIInChI=1S/C20H31NO2/c1-18-10-9-17(22)21(4)16(18)6-5-13-14(18)7-11-19(2)15(13)8-12-20(19,3)23/h6,13-15,23H,5,7-12H2,1-4H3/t13-,14+,15+,18-,19+,20+/m1/s1
InChIKeyPWVLZAWWMIOCEB-BAUWWDCUSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one (CHEBI:79693) is a oxo steroid (CHEBI:35789)
Synonym  Source
4,17alpha-dimethyl-4-aza-5-androsten-17beta-ol-3-oneChEBI
Manual XrefsDatabases
C15175KEGG COMPOUND