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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:4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid
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Accession:CHEBI:112730 term browser browse the term
Definition:A carboxylic ester that has formula C23H22Cl2N2O5.
Synonyms:related_synonym: Formula=C23H22Cl2N2O5;   InChI=1S/C23H22Cl2N2O5/c1-14-20(22(30)32-13-15-6-3-2-4-7-15)21(17-10-9-16(24)12-18(17)25)26-23(31)27(14)11-5-8-19(28)29/h2-4,6-7,9-10,12,21H,5,8,11,13H2,1H3,(H,26,31)(H,28,29);   InChIKey=UHBVLBSCOSTTAV-UHFFFAOYSA-N;   SMILES=CC1=C(C(NC(=O)N1CCCC(=O)O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC3=CC=CC=C3
 xref: LINCS:LSM-24140



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Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      chemical role 19449
        antioxidant 16138
          benzyl alcohol 435
            4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      chalcogen 19543
                        oxygen atom 19518
                          oxygen molecular entity 19518
                            hydroxides 19330
                              organic hydroxy compound 18953
                                alcohol 15705
                                  aromatic alcohol 527
                                    benzyl alcohols 493
                                      benzyl alcohol 435
                                        4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid 0
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