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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      biological role 499
        immunomodulator 14
          immunosuppressive agent 6
            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 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    main group molecular entity 492
                      s-block molecular entity 437
                        hydrogen molecular entity 436
                          hydrides 365
                            inorganic hydride 330
                              pnictogen hydride 329
                                nitrogen hydride 329
                                  azane 324
                                    ammonia 324
                                      organic amino compound 324
                                        amino alcohol 12
                                          aminodiol 0
                                            fingolimod 0
                                              2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol + 0
                                              fingolimod phosphate 0
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