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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:1-[[(4S,5R)-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]-3-(4-methoxyphenyl)-1-methylurea
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Accession:CHEBI:128186 term browser browse the term
Definition:An urea that has formula C28H38N4O6S.
Synonyms:related_synonym: Formula=C28H38N4O6S;   InChI=1S/C28H38N4O6S/c1-20-17-32(21(2)19-33)39(35,36)27-14-9-22(8-7-15-30(3)4)16-25(27)38-26(20)18-31(5)28(34)29-23-10-12-24(37-6)13-11-23/h9-14,16,20-21,26,33H,15,17-19H2,1-6H3,(H,29,34)/t20-,21+,26-/m0/s1;   InChIKey=BTAXIRVUQPPFKV-UZINWLIJSA-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)NC3=CC=C(C=C3)OC)[C@H](C)CO
 xref: LINCS:LSM-39741


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        agrochemical 0
          fertilizer 0
            urea 0
              ureas 0
                1-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                urea 0
                                                  ureas 0
                                                    1-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea 0
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