CHEBI:133942 - 2-hydroxy-17β-estradiol 3-sulfate(1−)

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ChEBI Name 2-hydroxy-17β-estradiol 3-sulfate(1−)
ChEBI ID CHEBI:133942
ChEBI ASCII Name 2-hydroxy-17beta-estradiol 3-sulfate(1-)
Definition A steroid sulfate oxoanion that is the conjugate base of 2-hydroxy-17β-estradiol 3-sulfate, obtained by deprotonation of the sulfo group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C18H23O6S
Net Charge -1
Average Mass 367.438
Monoisotopic Mass 367.12208
InChI InChI=1S/C18H24O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,17,19-20H,2-7H2,1H3,(H,21,22,23)/p-1/t11-,12+,14-,17-,18-/m0/s1
InChIKey SAURDTOTDJOGPE-XSSYPUMDSA-M
SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(OS([O-])(=O)=O)C(=C4)O)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H]
ChEBI Ontology
Outgoing 2-hydroxy-17β-estradiol 3-sulfate(1−) (CHEBI:133942) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)
2-hydroxy-17β-estradiol 3-sulfate(1−) (CHEBI:133942) is a steroid sulfate oxoanion (CHEBI:59696)
2-hydroxy-17β-estradiol 3-sulfate(1−) (CHEBI:133942) is conjugate base of 2-hydroxy-17β-estradiol 3-sulfate (CHEBI:136585)
Incoming 2-hydroxy-17β-estradiol 3-sulfate (CHEBI:136585) is conjugate acid of 2-hydroxy-17β-estradiol 3-sulfate(1−) (CHEBI:133942)
IUPAC Name
2,17β-dihydroxyestra-1,3,5(10)-trien-3-yl sulfate
Synonyms Sources
(17β)-2,17-dihydroxyestra-1,3,5(10)-trien-3-yl sulfate IUPAC
(17β)-estra-1,3,5(10)-triene-2,3,17-triol 3-sulfate(1−) ChEBI
2-hydroxy-17β-estradiol 3-sulfate UniProt
estra-1,3,5(10)-triene-2,3,17β-triol 3-sulfate(1−) ChEBI
Citation Waiting for Citations Type Source
17425406 PubMed citation SUBMITTER
Last Modified
17 April 2017