CHEBI:136582 - 17β-estradiol 3-sulfate(1−)

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ChEBI Name 17β-estradiol 3-sulfate(1−)
ChEBI ID CHEBI:136582
ChEBI ASCII Name 17beta-estradiol 3-sulfate(1-)
Definition A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17β-estradiol 3-sulfate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C18H23O5S
Net Charge -1
Average Mass 351.439
Monoisotopic Mass 351.12717
InChI InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,17+,18+/m1/s1
InChIKey QZIGLSSUDXBTLJ-ZBRFXRBCSA-M
SMILES C1=C2C(CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@@]32[H])C)O)[H])[H])=CC(=C1)OS([O-])(=O)=O
ChEBI Ontology
Outgoing 17β-estradiol 3-sulfate(1−) (CHEBI:136582) is a steroid sulfate oxoanion (CHEBI:59696)
17β-estradiol 3-sulfate(1−) (CHEBI:136582) is conjugate base of 17β-estradiol 3-sulfate (CHEBI:4866)
Incoming 17β-estradiol 3-sulfate (CHEBI:4866) is conjugate acid of 17β-estradiol 3-sulfate(1−) (CHEBI:136582)
IUPAC Name
17β-hydroxyestra-1(10),2,4-trien-3-yl sulfate
Synonyms Sources
(17β)-17-hydroxyestra-1(10),2,4-trien-3-yl sulfate ChEBI
17β-estradiol 3-sulfate UniProt
Registry Number Type Source
3705507 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7779757 PubMed citation SUBMITTER
Last Modified
22 March 2017