CHEBI:45869 - estriol 3-O-(β-D-glucuronide)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name estriol 3-O-(β-D-glucuronide)
ChEBI ID CHEBI:45869
ChEBI ASCII Name estriol 3-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid that is the 3-β-D-glucuronide of estriol; a steroid hormone ligand recognised by the monoclonal antibody 4155.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C24H32O9
Net Charge 0
Average Mass 464.50550
Monoisotopic Mass 464.20463
InChI 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
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
estrogen
A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing estriol 3-O-(β-D-glucuronide) (CHEBI:45869) has functional parent estriol (CHEBI:27974)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) has parent hydride estrane (CHEBI:23966)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) has role epitope (CHEBI:53000)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) has role estrogen (CHEBI:50114)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) is a 16α-hydroxy steroid (CHEBI:16799)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) is a 17β-hydroxy steroid (CHEBI:35343)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) is a steroid glucosiduronic acid (CHEBI:26763)
estriol 3-O-(β-D-glucuronide) (CHEBI:45869) is conjugate acid of estriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136649)
Incoming estriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136649) is conjugate base of estriol 3-O-(β-D-glucuronide) (CHEBI:45869)
IUPAC Name
(16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid
Synonyms Sources
16α,17β-estriol 3-(β-D-glucuronide) LIPID MAPS
E13G ChEBI
estra-1,3,5(10)-triene-3,16α,17β-triol 3-D-glucuronide LIPID MAPS
Estriol 3-glucuronide ChemIDplus
Estriol-3-glucuronide HMDB
Manual Xrefs Databases
1BFV PDB
C11288 KEGG COMPOUND
HMDB0010335 HMDB
LMST05010017 LIPID MAPS
STG PDBeChem
View more database links
Registry Numbers Types Sources
2479-91-6 CAS Registry Number ChemIDplus
5664384 Reaxys Registry Number Reaxys
5664384 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15537867 PubMed citation Europe PMC
9261086 PubMed citation Europe PMC
Last Modified
25 January 2017