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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:sulfopin
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Accession:CHEBI:231413 term browser browse the term
Definition:A sulfone that is thiolane substituted by two oxo groups at position 1 and by a (chloroacetyl)(2,2-dimethylpropyl)amino group at position 3. It is a covalent inhibitor of Pin1 (Ki = 17 nM) that inhibits Myc-driven tumors in vivo.
Synonyms:exact_synonym: 2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
 related_synonym: 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-neopentylacetamide;   2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1lambda(6)-thiolan-3-yl)acetamide;   Formula=C11H20ClNO3S;   InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3;   InChIKey=NMHVAHHYKGXBMY-UHFFFAOYSA-N;   PIN1-3;   SMILES=CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl
 xref: CAS:2451481-08-4;   PMID:33972797;   PMID:38167292;   PMID:38550694


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  CHEBI ontology 19904
    role 19875
      application 19718
        pharmaceutical 19555
          drug 19555
            antineoplastic agent 17839
              sulfopin 0
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  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19841
                    p-block element atom 19841
                      carbon group element atom 19779
                        carbon atom 19776
                          organic molecular entity 19776
                            heteroorganic entity 19540
                              organochalcogen compound 19301
                                organooxygen compound 19219
                                  carbon oxoacid 18698
                                    carboxylic acid 18695
                                      carboacyl group 17723
                                        univalent carboacyl group 17723
                                          carbamoyl group 17568
                                            carboxamide 17568
                                              tertiary carboxamide 857
                                                sulfopin 0
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