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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:Ertugliflozin
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Accession:CHEBI:188719 term browser browse the term
Synonyms:exact_synonym: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
 related_synonym: Formula=C22H25ClO7;   InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1;   InChIKey=MCIACXAZCBVDEE-CUUWFGFTSA-N;   SMILES=ClC1=C(C=C([C@]23O[C@]([C@@H](O)[C@H](O)[C@H]2O)(CO3)CO)C=C1)CC4=CC=C(OCC)C=C4
 xref: CAS:1210344-57-2;   Chemspider:26340533;   DrugBank:DB11827;   Drug_Central:5270;   KEGG:D10313
 xref_mesh: MESH:C570288


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Ertugliflozin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Slc5a2 solute carrier family 5 member 2 decreases activity ISO ertugliflozin results in decreased activity of SLC5A2 protein CTD PMID:21449606 NCBI chr 1:182,847,185...182,853,309
Ensembl chr 1:182,847,106...182,853,306 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19922
    chemical entity 19920
      group 19878
        polyatomic entity 19877
          molecule 19770
            cyclic compound 19535
              organic cyclic compound 19545
                organic aromatic compound 19380
                  diarylmethane 9457
                    Ertugliflozin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      p-block molecular entity 19866
                        carbon group molecular entity 19805
                          organic molecular entity 19775
                            organic molecule 19755
                              organic cyclic compound 19545
                                organic aromatic compound 19380
                                  diarylmethane 9457
                                    Ertugliflozin 1
paths to the root