CHEBI:8389 - estrone sodium sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name estrone sodium sulfate
ChEBI ID CHEBI:8389
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H21O5S.Na
Net Charge 0
Average Mass 372.41211
Monoisotopic Mass 372.101
InChI InChI=1S/C18H22O5S.Na/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;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
InChIKey VUCAHVBMSFIGAI-ZFINNJDLSA-M
SMILES [Na+].[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21
ChEBI Ontology
Outgoing estrone sodium sulfate (CHEBI:8389) has functional parent estrone (CHEBI:17263)
estrone sodium sulfate (CHEBI:8389) is a organic sodium salt (CHEBI:38700)
estrone sodium sulfate (CHEBI:8389) is a steroid sulfate (CHEBI:16158)
IUPAC Name
sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate
Synonyms Sources
17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate ChemIDplus
Estrogenic substances (conjugated) ChemIDplus
Estrone sodium sulfate ChemIDplus
Estrone sulfate sodium ChEBI
Estrone-3-sulfate sodium salt ChemIDplus
Oestrone-3-sulphate sodium salt ChemIDplus
Sodium estrone 3-sulfate ChemIDplus
Brand Names Sources
Conestoral Deprecated term DrugBank
Evex Deprecated term DrugBank
Hyhorin Deprecated term DrugBank
Morestin Deprecated term DrugBank
Premarin DrugBank
Manual Xrefs Databases
D00312 KEGG DRUG
DB00286 DrugBank
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Registry Numbers Types Sources
3835414 Beilstein Registry Number Beilstein
438-67-5 CAS Registry Number ChemIDplus
Last Modified
01 October 2008