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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-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
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Accession:CHEBI:96283 term browser browse the term
Definition:A pyrazine that has formula C26H34N4O5S.
Synonyms:related_synonym: Formula=C26H34N4O5S;   InChI=1S/C26H34N4O5S/c1-18(2)7-6-8-21-9-10-25-23(13-21)35-24(16-29(5)26(32)22-14-27-11-12-28-22)19(3)15-30(20(4)17-31)36(25,33)34/h9-14,18-20,24,31H,7,15-17H2,1-5H3/t19-,20+,24+/m0/s1;   InChIKey=ALBVOUUIQWHTKA-DCLXLUIPSA-N;   SMILES=C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC(C)C)O[C@@H]1CN(C)C(=O)C3=NC=CN=C3)[C@H](C)CO
 xref: LINCS:LSM-7662


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21797
    chemical entity 21795
      atom 21783
        nonmetal atom 21679
          nitrogen atom 19451
            nitrogen molecular entity 19451
              organonitrogen compound 19188
                carboxamide 17868
                  tertiary carboxamide 192
                    N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21797
    subatomic particle 21783
      composite particle 21783
        hadron 21783
          baryon 21783
            nucleon 21783
              atomic nucleus 21783
                atom 21783
                  main group element atom 21700
                    p-block element atom 21700
                      carbon group element atom 21516
                        carbon atom 21416
                          organic molecular entity 21416
                            organic group 19991
                              organic divalent group 19979
                                organodiyl group 19979
                                  carbonyl group 19972
                                    carbonyl compound 19972
                                      carboxylic acid 19290
                                        carboacyl group 18084
                                          univalent carboacyl group 18084
                                            carbamoyl group 17868
                                              carboxamide 17868
                                                tertiary carboxamide 192
                                                  N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide 0
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