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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:N-[(2S,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
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Accession:CHEBI:100064 term browser browse the term
Definition:A pyridinecarboxamide that has formula C21H21F2N3O4.
Synonyms:related_synonym: Formula=C21H21F2N3O4;   InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17-,19+/m0/s1;   InChIKey=UVJMALWFIRFJAR-JENIJYKNSA-N;   SMILES=C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F
 xref: LINCS:LSM-11443


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Term Annotations click to browse term
  CHEBI ontology 19832
    chemical entity 19830
      atom 19830
        nonmetal atom 19768
          nitrogen atom 18958
            nitrogen molecular entity 18958
              organonitrogen compound 18807
                carboxamide 17553
                  pyridinecarboxamide 329
                    N-[(2S,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19832
    subatomic particle 19830
      composite particle 19830
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19830
                  main group element atom 19780
                    p-block element atom 19780
                      carbon group element atom 19729
                        carbon atom 19725
                          organic molecular entity 19725
                            heteroorganic entity 19479
                              organochalcogen compound 19242
                                organooxygen compound 19157
                                  carbon oxoacid 18615
                                    carboxylic acid 18612
                                      carboacyl group 17703
                                        univalent carboacyl group 17703
                                          carbamoyl group 17553
                                            carboxamide 17553
                                              pyridinecarboxamide 329
                                                N-[(2S,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide 0
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