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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:fradafiban
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Accession:CHEBI:73266 term browser browse the term
Definition:A pyrrolidinone that is pyrrolidin-2-one which is substituted at positions 3 and 5 by carboxymethyl and hydroxymethyl groups, respectively, and in which the hydrogen of the resulting alcoholic hydroxy group is replaced by a 4'-carbamimidoylbiphenyl-4-yl group (the S,S-diastereoisomer). A figrinogen receptor antagonist.
Synonyms:exact_synonym: [(3S,5S)-5-{[(4'-carbamimidoylbiphenyl-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid
 related_synonym: (3S,5S)-5-(((4'-amidino-4-biphenylyl)oxy)methyl)-2-oxo-3-pyrrolidineacetic acid;   (3S-trans)-5-[[[4'-(aminoiminomethyl)[1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-3-pyrrolidineacetic acid;   Formula=C20H21N3O4;   InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1;   InChIKey=IKZACQMAVUIGPY-HOTGVXAUSA-N;   SMILES=[H][C@@]1(COc2ccc(cc2)-c2ccc(cc2)C(N)=N)C[C@@H](CC(O)=O)C(=O)N1;   fradafibanum
 xref: CAS:148396-36-5;   PMID:10566068;   PMID:9286940;   PMID:9352399;   Reaxys:8585909

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        pharmacological role 18870
          antagonist 16306
            platelet glycoprotein-IIb/IIIa receptor antagonist 1
              fradafiban 0
                lefradafiban 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      carboxylic acid 18142
                                        carboacyl group 17404
                                          univalent carboacyl group 17404
                                            carbamoyl group 17189
                                              carboxamide 17189
                                                lactam 8049
                                                  gamma-lactam 6275
                                                    pyrrolidin-2-ones 140
                                                      fradafiban 0
                                                        lefradafiban 0
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