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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:(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol
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Accession:CHEBI:128725 term browser browse the term
Definition:An aminoalkylpyridine that has formula C27H37N3O4S.
Synonyms:related_synonym: Formula=C27H37N3O4S;   InChI=1S/C27H37N3O4S/c1-20-16-30(21(2)19-31)35(32,33)27-13-12-23(22-9-5-4-6-10-22)15-25(27)34-26(20)18-29(3)17-24-11-7-8-14-28-24/h7-9,11-15,20-21,26,31H,4-6,10,16-19H2,1-3H3/t20-,21+,26-/m0/s1;   InChIKey=QSEJYNGOCYTBNI-UZINWLIJSA-N;   SMILES=C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)CC4=CC=CC=N4)[C@H](C)CO
 xref: LINCS:LSM-40279


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Term Annotations click to browse term
  CHEBI ontology 19838
    chemical entity 19836
      atom 19836
        nonmetal atom 19774
          nitrogen atom 18959
            nitrogen molecular entity 18959
              organonitrogen compound 18810
                organonitrogen heterocyclic compound 18151
                  pyridines 11521
                    aminoalkylpyridine 15
                      (2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            organic molecule 19684
                              organic cyclic compound 19496
                                organic heterocyclic compound 18874
                                  organic heteromonocyclic compound 17801
                                    pyridines 11521
                                      aminoalkylpyridine 15
                                        (2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
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