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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:hexadecane-1-sulfonate
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Accession:CHEBI:32913 term browser browse the term
Definition:A 1,1-diunsubstituted alkanesulfonate that has formula C16H33O3S.
Synonyms:related_synonym: Formula=C16H33O3S;   InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)/p-1;   InChIKey=SSILHZFTFWOUJR-UHFFFAOYSA-M;   SMILES=CCCCCCCCCCCCCCCCS([O-])(=O)=O;   cetylsulfonate
 xref: Beilstein:3907310;   Gmelin:245901
 cyclic_relationship: is_conjugate_base_of CHEBI:43043


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        xenobiotic 18424
          1,1-diunsubstituted alkanesulfonate 7
            hexadecane-1-sulfonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      chalcogen 19407
                        oxygen atom 19368
                          oxygen molecular entity 19368
                            oxide 11647
                              oxoanion 8758
                                chalcogen oxoanion 533
                                  sulfur oxoanion 532
                                    sulfonate 28
                                      organosulfonate oxoanion 28
                                        alkanesulfonate oxoanion 7
                                          1,1-diunsubstituted alkanesulfonate 7
                                            hexadecane-1-sulfonate 0
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