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Accession:CHEBI:133199 term browser browse the term
Definition:A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.
Synonyms:exact_synonym: 3-[4-(1-carboxyethyl)phenyl]-2-methylpropanoic acid
 related_synonym: 2,4'-(2-Carboxypropyl)phenylpropionic acid;   2-(4-(2-Carboxypropyl)phenyl)propionic acid;   Carboxy-ibuprofen;   Formula=C13H16O4;   Ibuprofen COOH;   InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17);   InChIKey=DIVLBIVDYADZPL-UHFFFAOYSA-N;   SMILES=C=1C=C(C=CC1C(C(=O)O)C)CC(C(=O)O)C
 xref: CAS:15935-54-3 "ChemIDplus";   HMDB:HMDB0060564;   PMID:21079932 "Europe PMC";   PMID:9094205 "Europe PMC";   Reaxys:5951324 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:133198;   is_conjugate_acid_of CHEBI:133200

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Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        xenobiotic 18334
          ibuprofen 289
            carboxyibuprofen 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        monocarboxylic acid 17265
                                          fatty acid 15819
                                            saturated fatty acid 15786
                                              propionic acid 3640
                                                ibuprofen 289
                                                  carboxyibuprofen 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.