EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178104 - testosterone 17-O-(3-sulfo-β-D-glucuronide)(2−)

ChEBI IDCHEBI:178104
ChEBI Nametestosterone 17-O-(3-sulfo-β-D-glucuronide)(2−)
Stars
ASCII Nametestosterone 17-O-(3-sulfo-beta-D-glucuronide)(2-)
DefinitionA steroid glucuronide anion that is the conjugate base of testosterone 17-O-(3-sulfo-β-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC25H34O11S
Net Charge-2
Average Mass542.603
Monoisotopic Mass542.18328
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]3O)CC[C@@]21[H]
InChIInChI=1S/C25H36O11S/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)34-23-19(28)20(36-37(31,32)33)18(27)21(35-23)22(29)30/h11,14-21,23,27-28H,3-10H2,1-2H3,(H,29,30)(H,31,32,33)/p-2/t14-,15-,16-,17-,18-,19+,20-,21-,23+,24-,25-/m0/s1
InChIKeyXVWRVYDYWWOOTO-PXSSYGRGSA-L
ChEBI Ontology
Outgoing Relation(s)
testosterone 17-O-(3-sulfo-β-D-glucuronide)(2−) (CHEBI:178104) is a steroid glucosiduronic acid anion (CHEBI:136637)
UniProt Name  Source
testosterone 17-O-(3-sulfo-β-D-glucuronate)UniProt
Citations