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CHEBI:190469 - 17β-estradiol 17-sulfate(1−)

ChEBI IDCHEBI:190469
ChEBI Name17β-estradiol 17-sulfate(1−)
Stars
ASCII Name17beta-estradiol 17-sulfate(1-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17β-estradiol 17-sulfate; major species at pH 7.3.
Last Modified9 May 2022
Submitterlaimo
DownloadsMolfile
FormulaC18H23O5S
Net Charge-1
Average Mass351.444
Monoisotopic Mass351.12717
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OS(=O)(=O)[O-])CC[C@@]21[H]
InChIInChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,17+,18+/m1/s1
InChIKeyJSUDNGPWAXYETN-ZBRFXRBCSA-M
ChEBI Ontology
Outgoing Relation(s)
17β-estradiol 17-sulfate(1−) (CHEBI:190469) is a estrane conjugate (CHEBI:167107)
17β-estradiol 17-sulfate(1−) (CHEBI:190469) is a steroid sulfate oxoanion (CHEBI:59696)
17β-estradiol 17-sulfate(1−) (CHEBI:190469) is conjugate base of 17β-estradiol 17-sulfate (CHEBI:191192)
Incoming Relation(s)
17β-estradiol 17-sulfate (CHEBI:191192) is conjugate acid of 17β-estradiol 17-sulfate(1−) (CHEBI:190469)
IUPAC Name 
3-hydroxyestra-1(10),2,4-trien-17β-yl sulfate
UniProt Name  Source
17β-estradiol 17-sulfateUniProt
Citations