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CHEBI:177658 - Ganaxolone

ChEBI IDCHEBI:177658
ChEBI NameGanaxolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O2
Net Charge0
Average Mass332.528
Monoisotopic Mass332.27153
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]34[H])[C@@]1(C)CC[C@@](C)(O)C2
InChIInChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1
InChIKeyPGTVWKLGGCQMBR-FLBATMFCSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
Ganaxolone (CHEBI:177658) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Manual XrefsDatabases
D04300KEGG DRUG
5293511ChemSpider
DB05087DrugBank
LSM-45679LINCS
Registry NumbersSources
CAS:38398-32-2ChemIDplus