EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177631 - Ulipristal

ChEBI IDCHEBI:177631
ChEBI NameUlipristal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO3
Net Charge0
Average Mass433.592
Monoisotopic Mass433.26169
SMILES[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](c1ccc(N(C)C)cc1)C1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1
InChIKeyHKDLNTKNLJPAIY-WKWWZUSTSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Ulipristal (CHEBI:177631) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
19349271ChemSpider
D09567KEGG DRUG
DB08867DrugBank
Registry NumbersSources
CAS:159811-51-5ChemIDplus