Term: | estriol 3-O-(beta-D-glucuronide) |
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Accession: | CHEBI:45869
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Definition: | A steroid glucosiduronic acid that is the 3-beta-D-glucuronide of estriol; a steroid hormone ligand recognised by the monoclonal antibody 4155. |
Synonyms: | exact_synonym: | (16alpha,17beta)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid |
| related_synonym: | 16alpha,17beta-estriol 3-(beta-D-glucuronide); E13G; Estriol-3-glucuronide; Formula=C24H32O9; InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1; InChIKey=UZKIAJMSMKLBQE-JRSYHJKYSA-N; SMILES=[H][C@]12CC[C@]3(C)[C@@H](O)[C@H](O)C[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21; estra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-D-glucuronide |
| xref: | CAS:2479-91-6; HMDB:HMDB0010335; KEGG:C11288; LIPID_MAPS_instance:LMST05010017 |
| xref_mesh: | MESH:C022810 |
| xref: | PDB:1BFV; PDBeChem:STG; PMID:15537867; PMID:9261086; Reaxys:5664384 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:136649 |
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