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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)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide
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Accession:CHEBI:95922 term browser browse the term
Definition:An aromatic ether that has formula C27H41N3O5S.
Synonyms:related_synonym: Formula=C27H41N3O5S;   InChI=1S/C27H41N3O5S/c1-20-17-30(21(2)19-31)36(33,34)26-14-13-22(10-9-15-28(3)4)16-24(26)35-25(20)18-29(5)27(32)23-11-7-6-8-12-23/h13-14,16,20-21,23,25,31H,6-8,11-12,15,17-19H2,1-5H3/t20-,21-,25-/m1/s1;   InChIKey=UDLZIJJYMLYVSF-DNRQZRRGSA-N;   SMILES=C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)O[C@@H]1CN(C)C(=O)C3CCCCC3)[C@H](C)CO
 xref: LINCS:LSM-7301

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  CHEBI ontology 0
    chemical entity 0
      group 0
        polyatomic entity 0
          molecule 0
            organic molecule 0
              organic cyclic compound 0
                organic aromatic compound 0
                  aromatic ether 0
                    N-[[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ether 0
                                    aromatic ether 0
                                      N-[[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide 0
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