CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: estriol 16-O-(beta-D-glucuronide)
Accession: CHEBI:766
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Definition: A steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue.
Synonyms: exact_synonym: 3,17beta-dihydroxyestra-1,3,5(10)-trien-16alpha-yl beta-D-glucopyranosiduronic acid
related_synonym: 16-Glucuronide-estriol; 16alpha,17beta-Estriol 16-(beta-D-glucuronide); 16alpha,17beta-estriol 16-O-(beta-D-glucuronide); Estriol-16-glucosiduronate; Estriol-16alpha-glucuronide; Formula=C24H32O9; 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; Oestriol-16alpha-glucuronide; 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]; estra-1,3,5(10)-triene-3,16alpha,17beta-triol 16-D-glucuronide
xref: CAS:1852-50-2; HMDB:HMDB0006766; KEGG:C05504; LIPID_MAPS_instance:LMST05010008
xref_mesh: MESH:C012961
xref: PMID:1263497; PMID:16414729; PMID:190739; PMID:192950; PMID:198422; PMID:23288867; PMID:324286; PMID:4407502; PMID:6250804; PMID:6261287; PMID:6519315; PMID:6727356; PMID:6743734; PMID:6778214; PMID:7106323; PMID:872423; PMID:955068; PMID:961744; Reaxys:67674
cyclic_relationship: is_conjugate_acid_of CHEBI:136650
G
Abcb1a
ATP binding cassette subfamily B member 1A
multiple interactions
EXP
estriol-16 alpha-(beta-D-glucuronide) inhibits the reaction [ABCB1 results in increased transport of estradiol-17 beta-glucuronide]
CTD
PMID:9794924
NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
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