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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:eliglustat
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Accession:CHEBI:82752 term browser browse the term
Definition:A carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease.
Synonyms:exact_synonym: N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]octanamide
 related_synonym: Formula=C23H36N2O4;   Genz-99067;   InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1;   InChIKey=FJZZPCZKBUKGGU-AUSIDOKSSA-N;   SMILES=CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1
 xref: CAS:491833-29-5;   Drug_Central:4834;   KEGG:D09893
 xref_mesh: MESH:C522917
 xref: PMID:20439622;   PMID:20713962;   PMID:20864621;   PMID:20872320;   PMID:22563139;   PMID:24816856;   PMID:24835462;   PMID:25239269;   Reaxys:21475293;   Wikipedia:Eliglustat
 cyclic_relationship: is_conjugate_base_of CHEBI:83355


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eliglustat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gba1 glucosylceramidase beta 1 multiple interactions ISO eliglustat results in decreased activity of and affects the localization of GBA1 protein CTD PMID:21250698 NCBI chr 2:174,609,437...174,615,457
Ensembl chr 2:174,609,403...174,618,263 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      atom 19897
        nonmetal atom 19819
          nitrogen atom 19003
            nitrogen molecular entity 19003
              organonitrogen compound 18855
                carboxamide 17577
                  eliglustat 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19532
                              organochalcogen compound 19293
                                organooxygen compound 19209
                                  carbon oxoacid 18678
                                    carboxylic acid 18675
                                      carboacyl group 17725
                                        univalent carboacyl group 17725
                                          carbamoyl group 17577
                                            carboxamide 17577
                                              eliglustat 1
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