CHEBI:191192 - 17β-estradiol 17-sulfate

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ChEBI Name 17β-estradiol 17-sulfate ChEBI ID CHEBI:191192 ChEBI ASCII Name 17beta-estradiol 17-sulfate Definition A steroid sulfate obtained by the formal condensation of sulfuric acid with the 17-hydroxy group of 17β-estradiol. 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 Wikipedia License Read full article at Wikipedia Formula C18H24O5S Net Charge 0 Average Mass 352.450 Monoisotopic Mass 352.13445 InChI InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1 InChIKey JSUDNGPWAXYETN-ZBRFXRBCSA-N SMILES [H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 17β-estradiol 17-sulfate (CHEBI:191192) has functional parent 17β-estradiol (CHEBI:16469) 17β-estradiol 17-sulfate (CHEBI:191192) has role human urinary metabolite (CHEBI:84087) 17β-estradiol 17-sulfate (CHEBI:191192) is a 3-hydroxy steroid (CHEBI:36834) 17β-estradiol 17-sulfate (CHEBI:191192) is a phenolic steroid (CHEBI:177917) 17β-estradiol 17-sulfate (CHEBI:191192) is a steroid sulfate (CHEBI:16158) 17β-estradiol 17-sulfate (CHEBI:191192) is conjugate acid of 17β-estradiol 17-sulfate(1−) (CHEBI:190469) Incoming 17β-estradiol 17-sulfate(1−) (CHEBI:190469) is conjugate base of 17β-estradiol 17-sulfate (CHEBI:191192) IUPAC Name 3-hydroxyestra-1(10),2,4-trien-17β-yl hydrogen sulfate Synonyms Sources (17β)-estra-1,3,5(10)-triene-3,17-diol 17-(hydrogen sulfate) ChEBI 17β-estradiol 17-sulfate ChEBI 17β-estradiol-17-sulfate ChEBI 3,17β-dihydroxyestra-1,3,5(10)-triene 17-sulfate ChEBI estra-1,3,5(10)-triene-3,17β-diol 17β-(hydrogen sulfate) ChEBI estradiol 17-(hydrogen sulfate) ChEBI estradiol 17-sulfate ChEBI estradiol 17β-sulfate ChEBI estradiol-17-sulfate ChemIDplus Manual Xrefs Databases 59802 ChemSpider Estradiol_17%CE%B2-sulfate Wikipedia HMDB0251958 HMDB View more database links Registry Number Type Source 3233-69-0 CAS Registry Number ChemIDplus Citations Types Sources 10406486 PubMed citation Europe PMC 11708150 PubMed citation Europe PMC 12234626 PubMed citation Europe PMC 12787901 PubMed citation Europe PMC 1314078 PubMed citation Europe PMC 1468592 PubMed citation Europe PMC 1479543 PubMed citation Europe PMC 16011896 PubMed citation Europe PMC 16677648 PubMed citation Europe PMC 17328177 PubMed citation Europe PMC 2064989 PubMed citation Europe PMC 23846123 PubMed citation Europe PMC 24630461 PubMed citation Europe PMC 25247675 PubMed citation Europe PMC 2755128 PubMed citation Europe PMC 2854667 PubMed citation Europe PMC 28951227 PubMed citation Europe PMC 3694423 PubMed citation Europe PMC 3834654 PubMed citation Europe PMC 4033124 PubMed citation Europe PMC 6094027 PubMed citation Europe PMC 6467470 PubMed citation Europe PMC 6527212 PubMed citation Europe PMC 6643638 PubMed citation Europe PMC 8364462 PubMed citation Europe PMC Last Modified 09 May 2022