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ONTOLOGY REPORT - ANNOTATIONS


Term:tirofiban
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Accession:CHEBI:9605 term browser browse the term
Definition:A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.
Synonyms:related_synonym: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;   Formula=C22H36N2O5S;   InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1;   InChIKey=COKMIXFXJJXBQG-NRFANRHFSA-N;   N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine;   N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine;   SMILES=CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O;   tirofibanum
 alt_id: CHEBI:40602
 xref: Beilstein:6182267 "Beilstein";   CAS:144494-65-5 "ChemIDplus";   DrugBank:DB00775;   Drug_Central:2680 "DrugCentral";   KEGG:C07965;   KEGG:D08607;   PDBeChem:AGG;   Patent:EP478363;   Patent:US5292756;   Wikipedia:Tirofiban


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  CHEBI ontology 19716
    role 19663
      application 19308
        pharmaceutical 19179
          drug 19179
            fibrin modulating drug 125
              tirofiban 0
                tirofiban hydrochloride 0
Path 2
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    main group molecular entity 19598
                      s-block molecular entity 19361
                        hydrogen molecular entity 19350
                          hydrides 18280
                            organic hydride 17546
                              organic fundamental parent 17546
                                hydrocarbon 16961
                                  cyclic hydrocarbon 15100
                                    monocyclic hydrocarbon 5636
                                      annulene 5450
                                        aromatic annulene 5450
                                          benzene 5450
                                            alkylbenzene 3193
                                              methylbenzene 3054
                                                toluene 2915
                                                  benzyl group 2356
                                                    phenylalanine 2356
                                                      phenylalanine derivative 2348
                                                        tyrosine derivative 373
                                                          L-tyrosine derivative 6
                                                            tirofiban 0
                                                              tirofiban hydrochloride 0
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