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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)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
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Accession:CHEBI:128036 term browser browse the term
Definition:A sulfonamide that has formula C25H35N3O6S.
Synonyms:related_synonym: Formula=C25H35N3O6S;   InChI=1S/C25H35N3O6S/c1-17-13-28(18(2)16-29)25(30)21-7-6-8-22(26-35(5,31)32)24(21)34-23(17)15-27(3)14-19-9-11-20(33-4)12-10-19/h6-12,17-18,23,26,29H,13-16H2,1-5H3/t17-,18-,23+/m0/s1;   InChIKey=IAKBBZLEORGFOS-IUKKYPGJSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)OC)[C@@H](C)CO
 xref: LINCS:LSM-39592


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Term Annotations click to browse term
  CHEBI ontology 5053
    chemical entity 5053
      atom 5044
        nonmetal atom 5008
          sulfur atom 255
            sulfur molecular entity 255
              organosulfur compound 219
                sulfonamide 10
                  N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5053
    subatomic particle 5044
      composite particle 5044
        hadron 5044
          baryon 5044
            nucleon 5044
              atomic nucleus 5044
                atom 5044
                  main group element atom 5015
                    p-block element atom 5012
                      chalcogen 4917
                        oxygen atom 4885
                          oxygen molecular entity 4885
                            hydroxides 4836
                              oxoacid 403
                                chalcogen oxoacid 79
                                  sulfur oxoacid 63
                                    sulfonic acid 32
                                      sulfonic acid derivative 32
                                        sulfonamide 10
                                          N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide 0
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