CHEBI:8389 - estrone sodium sulfate

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ChEBI Name estrone sodium sulfate ChEBI ID CHEBI:8389 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H21O5S.Na Net Charge 0 Average Mass 372.41211 Monoisotopic Mass 372.10074 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 DrugBank Evex DrugBank Hyhorin DrugBank Morestin DrugBank Premarin DrugBank Manual Xrefs Databases D00312 KEGG DRUG DB00286 DrugBank View more database links Registry Numbers Types Sources 3835414 Beilstein Registry Number Beilstein 438-67-5 CAS Registry Number ChemIDplus Last Modified 01 October 2008