CHEBI:766 - estriol 16-O-(β-D-glucuronide)

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ChEBI Name estriol 16-O-(β-D-glucuronide) ChEBI ID CHEBI:766 ChEBI ASCII Name estriol 16-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a β-D-glucuronyl residue. 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 C24H32O9 Net Charge 0 Average Mass 464.506 Monoisotopic Mass 464.20463 InChI InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/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 FQYGGFDZJFIDPU-JRSYHJKYSA-N SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)C)[H])[H])[H] Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed 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 estriol 16-O-(β-D-glucuronide) (CHEBI:766) has functional parent estriol (CHEBI:27974) estriol 16-O-(β-D-glucuronide) (CHEBI:766) has role human urinary metabolite (CHEBI:84087) estriol 16-O-(β-D-glucuronide) (CHEBI:766) is a β-D-glucosiduronic acid (CHEBI:15341) estriol 16-O-(β-D-glucuronide) (CHEBI:766) is a 17β-hydroxy steroid (CHEBI:35343) estriol 16-O-(β-D-glucuronide) (CHEBI:766) is a 3-hydroxy steroid (CHEBI:36834) estriol 16-O-(β-D-glucuronide) (CHEBI:766) is a phenols (CHEBI:33853) estriol 16-O-(β-D-glucuronide) (CHEBI:766) is a steroid glucosiduronic acid (CHEBI:26763) estriol 16-O-(β-D-glucuronide) (CHEBI:766) is conjugate acid of estriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136650) Incoming estriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136650) is conjugate base of estriol 16-O-(β-D-glucuronide) (CHEBI:766) IUPAC Name 3,17β-dihydroxyestra-1,3,5(10)-trien-16α-yl β-D-glucopyranosiduronic acid Synonyms Sources 16-Glucuronide-estriol KEGG COMPOUND 16alpha,17beta-Estriol 16-(beta-D-glucuronide) KEGG COMPOUND 16α,17β-estriol 16-O-(β-D-glucuronide) ChEBI estra-1,3,5(10)-triene-3,16α,17β-triol 16-D-glucuronide LIPID MAPS Estriol-16-glucosiduronate ChemIDplus Estriol-16alpha-glucuronide ChemIDplus Oestriol-16alpha-glucuronide ChemIDplus Manual Xrefs Databases C05504 KEGG COMPOUND HMDB0006766 HMDB LMST05010008 LIPID MAPS View more database links Registry Numbers Types Sources 1852-50-2 CAS Registry Number ChemIDplus 67674 Reaxys Registry Number Reaxys Citations Types Sources 1263497 PubMed citation Europe PMC 16414729 PubMed citation Europe PMC 190739 PubMed citation Europe PMC 192950 PubMed citation Europe PMC 198422 PubMed citation Europe PMC 23288867 PubMed citation Europe PMC 324286 PubMed citation Europe PMC 4407502 PubMed citation Europe PMC 6250804 PubMed citation Europe PMC 6261287 PubMed citation Europe PMC 6519315 PubMed citation Europe PMC 6727356 PubMed citation Europe PMC 6743734 PubMed citation Europe PMC 6778214 PubMed citation Europe PMC 7106323 PubMed citation Europe PMC 872423 PubMed citation Europe PMC 955068 PubMed citation Europe PMC 961744 PubMed citation Europe PMC Last Modified 22 June 2017