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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    chemical entity 501
      atom 501
        nonmetal atom 494
          nitrogen atom 416
            nitrogen molecular entity 416
              organonitrogen compound 409
                carboxamide 305
                  eliglustat 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      carboacyl group 307
                                        univalent carboacyl group 307
                                          carbamoyl group 305
                                            carboxamide 305
                                              eliglustat 0
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