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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-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(4-morpholinyl)acetamide
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Accession:CHEBI:96392 term browser browse the term
Definition:An organonitrogen compound that has formula C30H39N3O7S.
Synonyms:related_synonym: Formula=C30H39N3O7S;   InChI=1S/C30H39N3O7S/c1-22-18-33(23(2)21-34)41(36,37)29-12-9-25(6-5-24-7-10-26(38-4)11-8-24)17-27(29)40-28(22)19-31(3)30(35)20-32-13-15-39-16-14-32/h7-12,17,22-23,28,34H,13-16,18-21H2,1-4H3/t22-,23-,28-/m1/s1;   InChIKey=NJKSHKHIQBEBBM-MVOZIGHISA-N;   SMILES=C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)O[C@@H]1CN(C)C(=O)CN4CCOCC4)[C@H](C)CO
 xref: LINCS:LSM-7771


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Term Annotations click to browse term
  CHEBI ontology 26041
    chemical entity 26020
      atom 26016
        nonmetal atom 25505
          nitrogen atom 22541
            nitrogen molecular entity 22541
              organonitrogen compound 21934
                N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(4-morpholinyl)acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    main group molecular entity 25841
                      s-block molecular entity 25162
                        hydrogen molecular entity 24761
                          hydrides 22973
                            inorganic hydride 20500
                              pnictogen hydride 20441
                                nitrogen hydride 20219
                                  azane 19961
                                    ammonia 19960
                                      organic amino compound 19960
                                        amino acid 17174
                                          alpha-amino acid 14705
                                            N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(4-morpholinyl)acetamide 0
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