CHEBI:191255 - Altrenogest

ChEBI IDCHEBI:191255
ChEBI NameAltrenogest
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O2
Net Charge0
Average Mass310.437
Monoisotopic Mass310.19328
SMILES[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1
InChIKeyVWAUPFMBXBWEQY-ANULTFPQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
Altrenogest (CHEBI:191255) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
8216634ChemSpider
D02840KEGG DRUG
DB11372DrugBank
Registry NumbersSources
CAS:850-52-2ChemIDplus