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CHEBI:178197 - etiocholan-3α-ol-17-one 3-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:178197
ChEBI Nameetiocholan-3α-ol-17-one 3-O-(β-D-glucuronide)(1−)
Stars
ASCII Nameetiocholan-3alpha-ol-17-one 3-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of etiocholan-3α-ol-17-one 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC25H37O8
Net Charge-1
Average Mass465.563
Monoisotopic Mass465.24939
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[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/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/p-1/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1
InChIKeyVFUIRAVTUVCQTF-SDHZCXLISA-M
ChEBI Ontology
Outgoing Relation(s)
etiocholan-3α-ol-17-one 3-O-(β-D-glucuronide)(1−) (CHEBI:178197) is a steroid glucosiduronic acid anion (CHEBI:136637)
UniProt Name  Source
3α-hydroxyetiocholan-17-one 3-O-(β-D-glucuronate)UniProt
Citations