CHEBI:791 - 17β-estradiol 17-glucosiduronic acid

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ChEBI Name 17β-estradiol 17-glucosiduronic acid ChEBI ID CHEBI:791 ChEBI ASCII Name 17beta-estradiol 17-glucosiduronic acid Definition A steroid glucosiduronic acid that consists of 17β-estradiol having a β-glucuronyl residue attached at position 17 via a glycosidic linkage. 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 C24H32O8 Net Charge 0 Average Mass 448.50608 Monoisotopic Mass 448.20972 InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1 InChIKey MTKNDAQYHASLID-QXYWQCSFSA-N SMILES [H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O ChEBI Ontology Outgoing 17β-estradiol 17-glucosiduronic acid (CHEBI:791) has functional parent 17β-estradiol (CHEBI:16469) 17β-estradiol 17-glucosiduronic acid (CHEBI:791) is a 3-hydroxy steroid (CHEBI:36834) 17β-estradiol 17-glucosiduronic acid (CHEBI:791) is a steroid glucosiduronic acid (CHEBI:26763) 17β-estradiol 17-glucosiduronic acid (CHEBI:791) is conjugate acid of 17β-estradiol 17-glucosiduronate (CHEBI:82961) Incoming 17β-estradiol 17-glucosiduronate (CHEBI:82961) is conjugate base of 17β-estradiol 17-glucosiduronic acid (CHEBI:791) IUPAC Name 3-hydroxyestra-1,3,5(10)-trien-17β-yl β-D-glucopyranosiduronic acid Synonyms Sources 17beta-Estradiol 17-(beta-D-glucuronide) KEGG COMPOUND 17beta-Estradiol glucuronide ChemIDplus estra-1,3,5(10)-triene-3,17β-diol 17-D-glucuronoside LIPID MAPS Estradiol-17beta-glucuronide KEGG COMPOUND Glucuronosylestradiol KEGG COMPOUND Oestradiol-17beta-glucuronide ChemIDplus Manual Xrefs Databases C11237 KEGG COMPOUND HMDB0010317 HMDB LMST05010015 LIPID MAPS LMST05010025 LIPID MAPS View more database links Registry Numbers Types Sources 1806-98-0 CAS Registry Number ChemIDplus 64569 Reaxys Registry Number Reaxys Citations Types Sources 11812141 PubMed citation Europe PMC 11837698 PubMed citation Europe PMC 12527806 PubMed citation Europe PMC 12751626 PubMed citation Europe PMC 14567633 PubMed citation Europe PMC 15537867 PubMed citation Europe PMC 15608133 PubMed citation Europe PMC 20124397 PubMed citation Europe PMC 20360303 PubMed citation Europe PMC 20374298 PubMed citation Europe PMC Last Modified 17 September 2014