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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)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
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Accession:CHEBI:108671 term browser browse the term
Definition:A dialkylarylamine that has formula C23H33N3O5S2.
Synonyms:related_synonym: Formula=C23H33N3O5S2;   InChI=1S/C23H33N3O5S2/c1-16-13-26(17(2)15-27)22(28)12-18-11-19(24(3)4)8-9-20(18)31-21(16)14-25(5)33(29,30)23-7-6-10-32-23/h6-11,16-17,21,27H,12-15H2,1-5H3/t16-,17+,21+/m0/s1;   InChIKey=AXGDQZYYEHOPOR-CSODHUTKSA-N;   SMILES=C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CS3)[C@H](C)CO
 xref: LINCS:LSM-20070


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Term Annotations click to browse term
  CHEBI ontology 5150
    role 5117
      application 902
        NMR chemical shift reference compound 446
          ammonia 413
            organic amino compound 306
              tertiary amino compound 69
                N-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5150
    subatomic particle 5141
      composite particle 5141
        hadron 5141
          baryon 5141
            nucleon 5141
              atomic nucleus 5141
                atom 5141
                  main group element atom 5114
                    main group molecular entity 5113
                      s-block molecular entity 5046
                        hydrogen molecular entity 5039
                          hydrides 4658
                            inorganic hydride 425
                              pnictogen hydride 421
                                nitrogen hydride 421
                                  azane 413
                                    ammonia 413
                                      organic amino compound 306
                                        amine 7
                                          alkylamines 0
                                            dialkylarylamine 0
                                              N-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide 0
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