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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:empagliflozin
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Accession:CHEBI:82720 term browser browse the term
Definition:A C-glycosyl compound consisting of a beta-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus.
Synonyms:exact_synonym: (1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol
 related_synonym: (1S)-1,5-anhydro-1-C-{4-chloro-3-((4-{((3S)-oxolan-3-yl)oxy}phenyl)methyl)phenyl}-D-glucitol;   1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzene;   BI-10773;   BI10773;   Formula=C23H27ClO7;   InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1;   InChIKey=OBWASQILIWPZMG-QZMOQZSNSA-N;   JARDIANCE;   SMILES=OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1
 xref: CAS:864070-44-0;   Drug_Central:4830;   KEGG:D10459
 xref_mesh: MESH:C570240
 xref: PMID:23859488;   PMID:23859534;   PMID:23906415;   PMID:24226524;   PMID:24491572;   PMID:24716752;   PMID:24722494;   PMID:24746173;   PMID:24766495;   PMID:24795251;   PMID:24929430;   PMID:24944269;   PMID:24948511;   PMID:24958326;   PMID:24964723;   PMID:24991224;   PMID:24993361;   PMID:25061325;   PMID:25161155;   PMID:25199997;   PMID:25260362;   PMID:25271206;   PMID:25274537;   PMID:25296258;   PMID:25301180;   Reaxys:12378768;   Wikipedia:Empagliflozin

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        inhibitor 0
          sodium-glucose transport protein subtype 2 inhibitor 0
            empagliflozin 0
              Synjardy 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          C-glycosyl compound 0
                                            empagliflozin 0
                                              Synjardy 0
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