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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:brequinar sodium
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Accession:CHEBI:177871 term browser browse the term
Definition:An organic sodium salt of brequinar.
Synonyms:exact_synonym: sodium 6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylate
 related_synonym: 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinoline-carboxylic acid sodium salt;   DUP-785;   Formula=C23H14F2NO2.Na;   InChI=1S/C23H15F2NO2.Na/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;/h2-12H,1H3,(H,27,28);/q;+1/p-1;   InChIKey=PZOHOALJQOFNTB-UHFFFAOYSA-M;   NSC-368390;   SMILES=[Na+].CC1=C(C([O-])=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F;   brequinar sodium salt;   sodium 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylate
 xref: CAS:96201-88-6;   Chemspider:51421;   DrugBank:DBSALT002498;   KEGG:D03154;   PMID:1599514;   PMID:1617622;   PMID:1739622;   PMID:2078489;   PMID:2153375;   PMID:2164443;   PMID:2306706;   PMID:2306795;   PMID:2369734;   PMID:2386542;   PMID:2546667;   PMID:2558540;   PMID:2591433;   PMID:2632251;   PMID:2743343;   PMID:2822596;   PMID:2840910;   PMID:28928900;   PMID:3019518;   PMID:30458345;   PMID:30663496;   PMID:31132976;   PMID:3220087;   PMID:32525770;   PMID:33416466;   PMID:3409452;   PMID:7492488;   PMID:8438444;   PMID:8499153;   PMID:8623481;   PMID:9552330;   PMID:9723457;   PMID:9740540


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      biological role 19822
        biochemical role 19533
          antimetabolite 10295
            brequinar sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic ion 9892
                              organic anion 3623
                                carboxylic acid anion 2492
                                  monocarboxylic acid anion 1600
                                    quinolinemonocarboxylate 0
                                      brequinar(1-) 0
                                        brequinar sodium 0
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