Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

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:tirofiban
go back to main search page
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;   CAS:144494-65-5;   DrugBank:DB00775;   Drug_Central:2680;   KEGG:C07965;   KEGG:D08607;   PDBeChem:AGG;   Patent:EP478363;   Patent:US5292756;   Wikipedia:Tirofiban


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        pharmaceutical 19301
          drug 19301
            fibrin modulating drug 132
              tirofiban 0
                tirofiban hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            organic hydride 18269
                              organic fundamental parent 18269
                                hydrocarbon 17988
                                  cyclic hydrocarbon 17075
                                    monocyclic hydrocarbon 5768
                                      annulene 5594
                                        aromatic annulene 5594
                                          benzene 5594
                                            alkylbenzene 3345
                                              methylbenzene 3207
                                                toluene 3070
                                                  benzyl group 2480
                                                    phenylalanine 2480
                                                      phenylalanine derivative 2472
                                                        tyrosine derivative 400
                                                          L-tyrosine derivative 6
                                                            tirofiban 0
                                                              tirofiban hydrochloride 0
paths to the root

NHLBI Logo

RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.