EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136914 - 5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136914
ChEBI Name5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−)
Stars
ASCII Name5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of 5α-dihydrotestosterone 17-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified13 July 2017
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@@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)CCC(=O)C2
InChIInChI=1S/C25H38O8/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/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/p-1/t12-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyCLQMBSSRTBUNDV-CPKOJWPQSA-M
ChEBI Ontology
Outgoing Relation(s)
5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914) is a androstane conjugate (CHEBI:167106)
5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914) is a monocarboxylic acid anion (CHEBI:35757)
5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914) is a steroid glucosiduronic acid anion (CHEBI:136637)
5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914) is a β-D-glucosiduronate (CHEBI:83411)
5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914) is conjugate base of 5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417)
Incoming Relation(s)
5α-dihydrotestosterone 17-O-(β-D-glucuronide) (CHEBI:89417) is conjugate acid of 5α-dihydrotestosterone 17-O-(β-D-glucuronide)(1−) (CHEBI:136914)
IUPAC Name 
3-oxo-5α-androstan-17β-yl β-D-glucopyranosiduronate
Synonyms  Source
5α-dihydrotestosterone-17G(1−)SUBMITTER
5α-dihydrotestosterone 17-(β-D-glucuronide)(1−)ChEBI
5α-dihydrotestosterone 17-β-glucuronide(1−)ChEBI
5α-dihydrotestosterone 17-glucuronide(1−)ChEBI
(5α,17β)-3-oxoandrostan-17-yl β-D-glucopyranosiduronateIUPAC
UniProt Name  Source
5α-dihydrotestosterone 17-O-(β-D-glucuronate)UniProt
Citations