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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:3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone
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Accession:CHEBI:59149 term browser browse the term
Definition:A butan-4-olide having a (4-chlorophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.
Synonyms:exact_synonym: (5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-chlorobenzene-1-sulfonate
 related_synonym: (5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate;   3-(4-chlorobenzenesulfonyl)oxymethyl-5,5-dimethyldihydro-2(3H)-furanone;   Formula=C13H15ClO5S;   InChI=1S/C13H15ClO5S/c1-13(2)7-9(12(15)19-13)8-18-20(16,17)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3;   InChIKey=HDBZILYPRPDNTH-UHFFFAOYSA-N;   SMILES=CC1(C)CC(COS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1
 xref: PMID:8075360;   PMID:8075361



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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    chemical entity 26024
      group 25876
        inorganic group 24571
          sulfo group 10297
            organosulfonic acid 10297
              arenesulfonic acid 705
                arenesulfonate ester 82
                  3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      chalcogen 24917
                        oxygen atom 24817
                          oxygen molecular entity 24806
                            hydroxides 24049
                              oxoacid 22975
                                chalcogen oxoacid 14506
                                  sulfur oxoacid 14255
                                    sulfonic acid 11958
                                      sulfo group 10297
                                        organosulfonic acid 10297
                                          arenesulfonic acid 705
                                            arenesulfonate ester 82
                                              3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone 0
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