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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-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
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Accession:CHEBI:118573 term browser browse the term
Definition:A pyridinecarboxamide that has formula C21H21Cl2N3O4.
Synonyms:related_synonym: Formula=C21H21Cl2N3O4;   InChI=1S/C21H21Cl2N3O4/c22-16-5-3-13(8-17(16)23)10-25-20(28)9-15-4-6-18(19(12-27)30-15)26-21(29)14-2-1-7-24-11-14/h1-8,11,15,18-19,27H,9-10,12H2,(H,25,28)(H,26,29)/t15-,18-,19+/m0/s1;   InChIKey=NAYAIYZQZRPBRZ-ZYSHUDEJSA-N;   SMILES=C1=CC(=CN=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
 xref: LINCS:LSM-30022


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Term Annotations click to browse term
  CHEBI ontology 19917
    role 19887
      chemical role 19514
        antioxidant 16169
          nicotinamide 167
            N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    p-block element atom 19855
                      carbon group element atom 19794
                        carbon atom 19790
                          organic molecular entity 19790
                            heteroorganic entity 19548
                              organochalcogen compound 19307
                                organooxygen compound 19223
                                  carbon oxoacid 18687
                                    carboxylic acid 18684
                                      carboacyl group 17720
                                        univalent carboacyl group 17720
                                          carbamoyl group 17571
                                            carboxamide 17571
                                              pyridinecarboxamide 343
                                                nicotinamide 167
                                                  N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide 0
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