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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-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
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Accession:CHEBI:113921 term browser browse the term
Definition:A pyridinecarboxamide that has formula C28H30N4O5S.
Synonyms:related_synonym: Formula=C28H30N4O5S;   InChI=1S/C28H30N4O5S/c1-19-16-32(20(2)18-33)38(35,36)27-8-7-24(23-6-4-5-21(13-23)15-29)14-25(27)37-26(19)17-31(3)28(34)22-9-11-30-12-10-22/h4-14,19-20,26,33H,16-18H2,1-3H3/t19-,20-,26-/m1/s1;   InChIKey=VWUCQBGGJOIZNN-XMERXJNXSA-N;   SMILES=C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)O[C@@H]1CN(C)C(=O)C4=CC=NC=C4)[C@H](C)CO
 xref: LINCS:LSM-25353


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Term Annotations click to browse term
  CHEBI ontology 26050
    chemical entity 26029
      atom 26025
        nonmetal atom 25513
          nitrogen atom 22541
            nitrogen molecular entity 22541
              organonitrogen compound 21936
                carboxamide 19582
                  pyridinecarboxamide 336
                    N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            heteroorganic entity 24782
                              organochalcogen compound 24395
                                organooxygen compound 24072
                                  carbon oxoacid 22773
                                    carboxylic acid 22753
                                      carboacyl group 20068
                                        univalent carboacyl group 20068
                                          carbamoyl group 19582
                                            carboxamide 19582
                                              pyridinecarboxamide 336
                                                N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide 0
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