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CHEBI:746874 - 11-ketoetiocholanolone 3-O-(beta-D-glucuronide)

ChEBI IDCHEBI:746874
ChEBI Name11-ketoetiocholanolone 3-O-(beta-D-glucuronide)
Stars
Last Modified21 October 2025
Submitterlaimo
DownloadsMolfile
FormulaC25H35O9
Net Charge-1
Average Mass479.546
Monoisotopic Mass479.22866
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CC[C@@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C25H36O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-14,17-21,23,28-30H,3-10H2,1-2H3,(H,31,32)/p-1/t11-,12-,13+,14+,17-,18+,19+,20-,21+,23-,24+,25+/m1/s1
InChIKeyQTXWOOLAHRQMGZ-KYRWCVLKSA-M
ChEBI Ontology
Outgoing Relation(s)
11-ketoetiocholanolone 3-O-(beta-D-glucuronide) (CHEBI:746874) has functional parent 11-Ketoetiocholanolone (CHEBI:34135)
11-ketoetiocholanolone 3-O-(beta-D-glucuronide) (CHEBI:746874) is a steroid glucosiduronic acid anion (CHEBI:136637)
UniProt Name  Source
5beta-androstane-11,17-dione 3-O-(beta-D-glucuronide)UniProt
Registry NumbersSources
CAS:44263359PubChem Compound