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

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ChEBI Name 5α-androstane-3α,17β-diol 3-glucosiduronate(1−)
ChEBI ID CHEBI:191859
ChEBI ASCII Name 5alpha-androstane-3alpha,17beta-diol 3-glucosiduronate(1-)
Definition A 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.
Stars This entity has been manually annotated by a third party.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C25H39O8
Net Charge -1
Average Mass 467.580
Monoisotopic Mass 467.26504
InChI InChI=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
InChIKey GYNWSIBKBBWJJW-WWLGJQRMSA-M
SMILES O[C@@H]1[C@@]2([C@]([C@]3([C@](CC2)([C@@]4([C@](C[C@@H](CC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C([O-])=O)O)O)O)(CC3)[H])C)[H])[H])(CC1)[H])C
ChEBI Ontology
Outgoing 5α-androstane-3α,17β-diol 3-glucosiduronate(1−) (CHEBI:191859) is a monocarboxylic acid anion (CHEBI:35757)
Synonym Source
5α-androstane-3α,17β-diol 3-O-(β-D-glucuronate) UniProt
Citation Waiting for Citations Type Source
31553721 PubMed citation SUBMITTER