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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:fingolimod
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Accession:CHEBI:63115 term browser browse the term
Definition:An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate.
Synonyms:exact_synonym: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
 related_synonym: FTY-720;   FTY720;   Formula=C19H33NO2;   InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3;   InChIKey=KKGQTZUTZRNORY-UHFFFAOYSA-N;   SMILES=CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1;   fingolimodum
 xref: CAS:162359-55-9;   DrugBank:DB08868;   Drug_Central:4167;   KEGG:D10001
 xref_mesh: MESH:C098720
 xref: PMID:11888913;   PMID:16571654;   PMID:17203219;   PMID:19940275;   PMID:21045200;   PMID:21045201;   PMID:21280229;   PMID:21394595;   PMID:21425262;   PMID:21456524;   PMID:21459808;   PMID:21652609;   PMID:21669553;   PMID:21789537;   PMID:21790210;   PMID:21838759;   PMID:21845450;   PMID:21906625;   PMID:21955849;   PMID:23073075;   PMID:23167788;   PMID:23183172;   PMID:23211038;   PMID:23223539;   PMID:23261767;   PMID:23471662;   PMID:23508350;   PMID:23518370;   PMID:23531349;   PMID:23541049;   Reaxys:7811195;   Wikipedia:Fingolimod
 cyclic_relationship: is_conjugate_base_of CHEBI:63113


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Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      biological role 22162
        immunomodulator 15681
          immunosuppressive agent 14566
            fingolimod 0
              2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol + 0
              fingolimod phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    main group molecular entity 22104
                      s-block molecular entity 21729
                        hydrogen molecular entity 21646
                          hydrides 20758
                            inorganic hydride 18672
                              pnictogen hydride 18652
                                nitrogen hydride 18519
                                  azane 18426
                                    ammonia 18425
                                      organic amino compound 18425
                                        amino alcohol 1078
                                          aminodiol 190
                                            fingolimod 0
                                              2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol + 0
                                              fingolimod phosphate 0
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