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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-[[(4S,5R)-8-(3-fluorophenyl)-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-methylcyclopropanecarboxamide
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Accession:CHEBI:110148 term browser browse the term
Definition:An organofluorine compound that has formula C25H31FN2O5S.
Synonyms:related_synonym: Formula=C25H31FN2O5S;   InChI=1S/C25H31FN2O5S/c1-16-13-28(17(2)15-29)34(31,32)24-10-9-20(19-5-4-6-21(26)11-19)12-22(24)33-23(16)14-27(3)25(30)18-7-8-18/h4-6,9-12,16-18,23,29H,7-8,13-15H2,1-3H3/t16-,17+,23-/m0/s1;   InChIKey=SBQRHQGOZJVRTE-MFEFFIJZSA-N;   SMILES=C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)F)O[C@H]1CN(C)C(=O)C4CC4)[C@H](C)CO
 xref: LINCS:LSM-21575


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Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      molecular entity 19829
        main group molecular entity 19779
          p-block molecular entity 19779
            halogen molecular entity 18651
              fluorine molecular entity 14983
                organofluorine compound 14658
                  N-[[(4S,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      p-block molecular entity 19779
                        carbon group molecular entity 19728
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organohalogen compound 18507
                                organofluorine compound 14658
                                  N-[[(4S,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide 0
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