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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-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester
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Accession:CHEBI:114757 term browser browse the term
Definition:An aromatic amide that has formula C16H18BrN3O3.
Synonyms:related_synonym: Formula=C16H18BrN3O3;   InChI=1S/C16H18BrN3O3/c1-4-20-14(13(17)9-18-20)15(21)19-12-7-5-11(6-8-12)16(22)23-10(2)3/h5-10H,4H2,1-3H3,(H,19,21);   InChIKey=PQCYGOOWNHMIIA-UHFFFAOYSA-N;   SMILES=CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C
 xref: LINCS:LSM-26219


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26050
    role 25966
      chemical role 24256
        donor 23246
          Bronsted acid 23033
            protic solvent 15991
              propan-2-ol 791
                isopropyl ester 775
                  4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            heteroorganic entity 24782
                              organochalcogen compound 24395
                                organooxygen compound 24072
                                  carbon oxoacid 22773
                                    carboxylic acid 22753
                                      monocarboxylic acid 21759
                                        fatty acid 19102
                                          fatty acid derivative 9239
                                            fatty alcohol 6127
                                              secondary fatty alcohol 791
                                                propan-2-ol 791
                                                  isopropyl ester 775
                                                    4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester 0
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