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

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI ID	CHEBI:45869
ChEBI Name	estriol 3-O-(β-D-glucuronide)
Stars
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.
Last Modified	25 January 2017
Downloads	Molfile

Formula	C24H32O9
Net Charge	0
Average Mass	464.511
Monoisotopic Mass	464.20463
SMILES	[H][C@@]12CCc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]21[H]
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

Roles Classification

Biological Roles:

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.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
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

Registry Numbers	Sources
Reaxys:5664384	Reaxys
CAS:2479-91-6	ChemIDplus

Citations