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CHEBI:191859 - 5α-androstane-3α,17β-diol 3-glucosiduronate(1−)

ChEBI IDCHEBI:191859
ChEBI Name5α-androstane-3α,17β-diol 3-glucosiduronate(1−)
Stars
ASCII Name5alpha-androstane-3alpha,17beta-diol 3-glucosiduronate(1-)
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 5α-androstane-3α,17β-diol 3-glucosiduronic acid; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC25H39O8
Net Charge-1
Average Mass467.579
Monoisotopic Mass467.26504
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](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/C25H40O8/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/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/p-1/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyGYNWSIBKBBWJJW-WWLGJQRMSA-M
ChEBI Ontology
Outgoing Relation(s)
5α-androstane-3α,17β-diol 3-glucosiduronate(1−) (CHEBI:191859) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
5α-androstane-3α,17β-diol 3-O-(β-D-glucuronate)UniProt
Citations