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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,5S)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
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Accession:CHEBI:109893 term browser browse the term
Definition:An organofluorine compound that has formula C25H34FN3O5S.
Synonyms:related_synonym: Formula=C25H34FN3O5S;   InChI=1S/C25H34FN3O5S/c1-5-12-27-25(31)28(4)15-23-17(2)14-29(18(3)16-30)35(32,33)24-11-10-19(13-22(24)34-23)20-8-6-7-9-21(20)26/h6-11,13,17-18,23,30H,5,12,14-16H2,1-4H3,(H,27,31)/t17-,18+,23+/m0/s1;   InChIKey=YZGVRROAGSWMNC-YZZKKUAISA-N;   SMILES=CCCNC(=O)N(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC=C3F)[C@H](C)CO)C
 xref: LINCS:LSM-21321

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        main group molecular entity 0
          p-block molecular entity 0
            halogen molecular entity 0
              fluorine molecular entity 0
                organofluorine compound 0
                  1-[[(4S,5S)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organohalogen compound 0
                                organofluorine compound 0
                                  1-[[(4S,5S)-8-(2-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea 0
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