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CHEBI:178093 - 17β-estradiol 3-O-(3-sulfo-β-D-glucuronide)(2−)

ChEBI IDCHEBI:178093
ChEBI Name17β-estradiol 3-O-(3-sulfo-β-D-glucuronide)(2−)
Stars
ASCII Name17beta-estradiol 3-O-(3-sulfo-beta-D-glucuronide)(2-)
DefinitionA steroid glucuronide anion that is the conjugate base of 17β-estradiol 3-O-(3-sulfo-β-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC24H30O11S
Net Charge-2
Average Mass526.560
Monoisotopic Mass526.15198
SMILES[H][C@@]12CCc3cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]4O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)33-23-19(27)20(35-36(30,31)32)18(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/p-2/t14-,15-,16+,17+,18+,19-,20+,21+,23-,24+/m1/s1
InChIKeySQOPKKTYGVIMPS-ZDFSTSLFSA-L
ChEBI Ontology
Outgoing Relation(s)
17β-estradiol 3-O-(3-sulfo-β-D-glucuronide)(2−) (CHEBI:178093) is a steroid glucosiduronic acid anion (CHEBI:136637)
UniProt Name  Source
17β-estradiol 3-O-(3-sulfo-β-D-glucuronate)UniProt
Citations