Send us a Message

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


The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

go back to main search page
Accession:CHEBI:43415 term browser browse the term
Definition:An ibuprofen that has formula C13H18O2.
Synonyms:exact_synonym: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
 related_synonym: (+)-(S)-p-isobutylhydratropic acid;   (2S)-2-(4-isobutylphenyl)propanoic acid;   (S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid;   Formula=C13H18O2;   IBUPROFEN;   InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1;   InChIKey=HEFNNWSXXWATRW-JTQLQIEISA-N;   SMILES=CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O;   d-ibuproten
 alt_id: CHEBI:35706;   CHEBI:43412
 xref: Beilstein:3590020;   Beilstein:3590022;   CAS:51146-56-6;   Drug_Central:3851;   KEGG:D03715;   LINCS:LSM-2323;   PDBeChem:IBP
 cyclic_relationship: is_enantiomer_of CHEBI:47835

show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      biological role 19726
        xenobiotic 18398
          ibuprofen 289
            dexibuprofen 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic group 18620
                              organic divalent group 18611
                                organodiyl group 18611
                                  carbonyl group 18526
                                    carbonyl compound 18526
                                      carboxylic acid 18202
                                        monocarboxylic acid 17606
                                          fatty acid 16003
                                            saturated fatty acid 15979
                                              propionic acid 3683
                                                ibuprofen 289
                                                  dexibuprofen 0
paths to the root