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CHEBI:133519 - 5α-androstane-3α,17β-diol 17-glucosiduronate

ChEBI IDCHEBI:133519
ChEBI Name5α-androstane-3α,17β-diol 17-glucosiduronate
Stars
ASCII Name5alpha-androstane-3alpha,17beta-diol 17-glucosiduronate
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 5α-androstane-3α,17β-diol 17-glucosiduronic acid
Last Modified8 May 2017
SubmitterSteve
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[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/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
InChIKeyZJYZOWMDMWQJIV-WWLGJQRMSA-M
ChEBI Ontology
Outgoing Relation(s)
5α-androstane-3α,17β-diol 17-glucosiduronate (CHEBI:133519) is a carbohydrate acid derivative anion (CHEBI:63551)
5α-androstane-3α,17β-diol 17-glucosiduronate (CHEBI:133519) is a monocarboxylic acid anion (CHEBI:35757)
5α-androstane-3α,17β-diol 17-glucosiduronate (CHEBI:133519) is conjugate base of 5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517)
Incoming Relation(s)
5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) is conjugate acid of 5α-androstane-3α,17β-diol 17-glucosiduronate (CHEBI:133519)
IUPAC Name 
3α-hydroxy-5α-androstan-17β-yl β-D-glucopyranosiduronate
Synonyms  Source
5α-androstane-3α,17β-diol 17-glucuronoside(1−)ChEBI
(3α,5α,17β)-3-hydroxyandrostan-17-yl β-D-glucopyranosiduronateIUPAC
5α-androstane-3α,17β-diol 17-glucuronide(1−)ChEBI
UniProt Name  Source
3α-hydroxy-5α-androstane 17-O-(β-D-glucuronate)UniProt