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

ChEBI IDCHEBI:766
ChEBI Nameestriol 16-O-(β-D-glucuronide)
Stars
ASCII Nameestriol 16-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a β-D-glucuronyl residue.
Last Modified22 June 2017
DownloadsMolfile
FormulaC24H32O9
Net Charge0
Average Mass464.511
Monoisotopic Mass464.20463
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21[H]
InChIInChI=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
InChIKeyFQYGGFDZJFIDPU-JRSYHJKYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (2994907)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
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 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 a β-D-glucosiduronic acid (CHEBI:15341)
estriol 16-O-(β-D-glucuronide) (CHEBI:766) is conjugate acid of estriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136650)
Incoming Relation(s)
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  Source
16-Glucuronide-estriolKEGG COMPOUND
16alpha,17beta-Estriol 16-(beta-D-glucuronide)KEGG COMPOUND
Estriol-16-glucosiduronateChemIDplus
Oestriol-16alpha-glucuronideChemIDplus
Estriol-16alpha-glucuronideChemIDplus
16α,17β-estriol 16-O-(β-D-glucuronide)ChEBI
Manual XrefsDatabases
C05504KEGG COMPOUND
LMST05010008LIPID MAPS
HMDB0006766HMDB
Registry NumbersSources
Reaxys:67674Reaxys
CAS:1852-50-2KEGG COMPOUND
CAS:1852-50-2ChemIDplus
Citations