CHEBI:191255 - Altrenogest

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Altrenogest
ChEBI ID CHEBI:191255
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O2
Net Charge 0
Average Mass 310.437
Monoisotopic Mass 310.19328
InChI InChI=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
InChIKey VWAUPFMBXBWEQY-ANULTFPQSA-N
SMILES O[C@@]1([C@@]2([C@]([C@]3(C(C=C2)=C4C(CC3)=CC(=O)CC4)[H])(CC1)[H])C)CC=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
8216634 ChemSpider
D02840 KEGG DRUG
DB11372 KEGG DRUG
View more database links
Registry Number Type Source
850-52-2 CAS Registry Number ChemIDplus