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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 GBA1 protein CTD PMID:21250698 NCBI chr 2:174,609,437...174,615,457
Ensembl chr 2:174,609,403...174,618,263
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Term Annotations click to browse term
  CHEBI ontology 19715
    chemical entity 19713
      atom 19713
        nonmetal atom 19654
          nitrogen atom 18806
            nitrogen molecular entity 18806
              organonitrogen compound 18628
                carboxamide 17435
                  eliglustat 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19715
    subatomic particle 19713
      composite particle 19713
        hadron 19713
          baryon 19713
            nucleon 19713
              atomic nucleus 19713
                atom 19713
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19606
                        carbon atom 19603
                          organic molecular entity 19603
                            organic group 18792
                              organic divalent group 18777
                                organodiyl group 18777
                                  carbonyl group 18743
                                    carbonyl compound 18743
                                      carboxylic acid 18443
                                        carboacyl group 17599
                                          univalent carboacyl group 17599
                                            carbamoyl group 17435
                                              carboxamide 17435
                                                eliglustat 1
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