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

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ChEBI Name estriol 16-O-(β-D-glucuronide)
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Definition A steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a β-D-glucuronyl residue.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
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
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)
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
HMDB0006766 HMDB
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Registry Numbers Types Sources
1852-50-2 CAS Registry Number ChemIDplus
67674 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 June 2017