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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:(2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid
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Accession:CHEBI:76204 term browser browse the term
Definition:A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-hydroxycyclopentyl)methyl]phenyl group (the 2S,1'R,2'S-stereoisomer. The active metabolite of loxoprofen.
Synonyms:related_synonym: Formula=C15H20O3;   InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1;   InChIKey=SHAHPWSYJFYMRX-GDLCADMTSA-N;   SMILES=C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1;   loxoprofen active metabolite;   loxoprofen-SRS
 xref: PMID:14980665;   PMID:15501405;   PMID:16272692;   PMID:16406342;   PMID:9650852;   PMID:9831331;   Reaxys:5745713


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  CHEBI ontology 19773
    role 19719
      application 19403
        anti-inflammatory agent 15766
          anti-inflammatory drug 13625
            non-steroidal anti-inflammatory drug 12715
              (2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 0
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  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic group 18613
                              organic divalent group 18604
                                organodiyl group 18604
                                  carbonyl group 18521
                                    carbonyl compound 18521
                                      carboxylic acid 18196
                                        monocarboxylic acid 17604
                                          fatty acid 16009
                                            saturated fatty acid 15983
                                              propionic acid 3684
                                                loxoprofen 3
                                                  (2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 0
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