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CHEBI:178106 - dehydroepiandrosterone 3-O-(3-sulfo-β-D-glucuronide)(2−)

ChEBI IDCHEBI:178106
ChEBI Namedehydroepiandrosterone 3-O-(3-sulfo-β-D-glucuronide)(2−)
Stars
ASCII Namedehydroepiandrosterone 3-O-(3-sulfo-beta-D-glucuronide)(2-)
DefinitionA steroid glucuronide anion that is the conjugate base of dehydroepiandrosterone 3-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@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C25H36O11S/c1-24-9-7-13(34-23-19(28)20(36-37(31,32)33)18(27)21(35-23)22(29)30)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-28H,4-11H2,1-2H3,(H,29,30)(H,31,32,33)/p-2/t13-,14-,15-,16-,18-,19+,20-,21-,23+,24-,25-/m0/s1
InChIKeyTWXJVJRXDDFULE-FLCQFZNTSA-L
ChEBI Ontology
Outgoing Relation(s)
dehydroepiandrosterone 3-O-(3-sulfo-β-D-glucuronide)(2−) (CHEBI:178106) is a steroid glucosiduronic acid anion (CHEBI:136637)
UniProt Name  Source
3β-androst-5-en-17-one 3-O-(3-sulfo-β-D-glucuronate)UniProt
Citations