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17beta-estradiol 3-sulfate(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136582

A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17beta-estradiol 3-sulfate; major species at pH 7.3.

Term info

Label

17beta-estradiol 3-sulfate(1-)

Synonyms
  • 17beta-hydroxyestra-1(10),2,4-trien-3-yl sulfate
database cross reference
Subsets

3_STAR

IUPAC NAME
17beta-hydroxyestra-1(10),2,4-trien-3-yl sulfate [ IUPAC ]

charge

-1

formula

C18H23O5S

has obo namespace

chebi_ontology

has related synonym

(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl sulfate, 17beta-estradiol 3-sulfate

id

CHEBI:136582

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

mass

351.439

monoisotopicmass

351.12717

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