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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-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide
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Accession:CHEBI:108867 term browser browse the term
Definition:A sulfonamide that has formula C31H36FN3O7S.
Synonyms:related_synonym: Formula=C31H36FN3O7S;   InChI=1S/C31H36FN3O7S/c1-20-15-35(21(2)18-36)31(37)14-23-13-25(33-43(38,39)26-8-5-24(32)6-9-26)7-11-27(23)42-30(20)17-34(3)16-22-4-10-28-29(12-22)41-19-40-28/h4-13,20-21,30,33,36H,14-19H2,1-3H3/t20-,21-,30+/m1/s1;   InChIKey=ZVLYFKSMWJQSMB-JAOJVIEDSA-N;   SMILES=C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO
 xref: LINCS:LSM-20266


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Term Annotations click to browse term
  CHEBI ontology 22182
    chemical entity 22181
      atom 22174
        nonmetal atom 22059
          sulfur atom 18686
            sulfur molecular entity 18686
              organosulfur compound 18099
                sulfonamide 5295
                  N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22182
    subatomic particle 22174
      composite particle 22174
        hadron 22174
          baryon 22174
            nucleon 22174
              atomic nucleus 22174
                atom 22174
                  main group element atom 22108
                    p-block element atom 22108
                      chalcogen 21441
                        oxygen atom 21419
                          oxygen molecular entity 21419
                            hydroxides 20799
                              oxoacid 20118
                                chalcogen oxoacid 14370
                                  sulfur oxoacid 14155
                                    sulfonic acid 11994
                                      sulfonic acid derivative 11994
                                        sulfonamide 5295
                                          N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide 0
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