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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:LSM-30831
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Accession:CHEBI:119382 term browser browse the term
Definition:A sulfonamide that has formula C30H33N3O5S.
Synonyms:related_synonym: Formula=C30H33N3O5S;   InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-24(26)20-38-29(21)18-32(3)39(36,37)25-14-12-23(16-31)13-15-25/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22+,29+/m1/s1;   InChIKey=CPEICJXEUQBQMC-BXOOBUKZSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C#N)[C@@H](C)CO
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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          sulfur atom 1
            sulfur molecular entity 1
              organosulfur compound 1
                sulfonamide 0
                  LSM-30831 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      chalcogen 2
                        oxygen atom 1
                          oxygen molecular entity 1
                            hydroxides 1
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfonic acid 0
                                      sulfonic acid derivative 0
                                        sulfonamide 0
                                          LSM-30831 0
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