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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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Term Annotations click to browse term
  CHEBI ontology 26040
    chemical entity 26019
      group 25882
        polyatomic entity 25882
          molecule 25268
            organic molecule 25223
              organic cyclic compound 24277
                organic aromatic compound 23914
                  aromatic ether 19073
                    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$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    main group molecular entity 25840
                      p-block molecular entity 25835
                        carbon group molecular entity 25437
                          organic molecular entity 25395
                            heteroorganic entity 24770
                              organochalcogen compound 24383
                                organooxygen compound 24060
                                  ether 19852
                                    aromatic ether 19073
                                      N-[[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide 0
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