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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,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide
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Accession:CHEBI:124727 term browser browse the term
Definition:A sulfonamide that has formula C29H36F3N5O5S.
Synonyms:related_synonym: Formula=C29H36F3N5O5S;   InChI=1S/C29H36F3N5O5S/c1-19-13-37(20(2)17-38)28(39)12-22-11-24(34-43(40,41)27-16-36(4)18-33-27)9-10-25(22)42-26(19)15-35(3)14-21-5-7-23(8-6-21)29(30,31)32/h5-11,16,18-20,26,34,38H,12-15,17H2,1-4H3/t19-,20-,26-/m0/s1;   InChIKey=ZUOFRGRNPVMREM-DYLHXGEVSA-N;   SMILES=C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
 xref: LINCS:LSM-36169


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  CHEBI ontology 19921
    chemical entity 19919
      atom 19919
        nonmetal atom 19848
          sulfur atom 17780
            sulfur molecular entity 17780
              organosulfur compound 17476
                sulfonamide 5309
                  N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      chalcogen 19614
                        oxygen atom 19586
                          oxygen molecular entity 19586
                            hydroxides 19389
                              oxoacid 18823
                                chalcogen oxoacid 13794
                                  sulfur oxoacid 13582
                                    sulfonic acid 11625
                                      sulfonic acid derivative 11625
                                        sulfonamide 5309
                                          N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide 0
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