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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 Gba glucosylceramidase beta multiple interactions ISO eliglustat results in decreased activity of and affects the localization of GBA protein CTD PMID:21250698 NCBI chr 2:188,511,781...188,522,602
Ensembl chr 2:188,516,582...188,522,601
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    chemical entity 19785
      atom 19782
        nonmetal atom 19657
          nitrogen atom 18539
            nitrogen molecular entity 18539
              organonitrogen compound 18309
                carboxamide 17132
                  eliglustat 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                eliglustat 1
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