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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 22178
    role 22194
      biological role 22162
        xenobiotic 19695
          1,1-diunsubstituted alkanesulfonate 9
            hexadecane-1-sulfonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      chalcogen 21431
                        oxygen atom 21437
                          oxygen molecular entity 21409
                            oxide 13368
                              oxoanion 10737
                                chalcogen oxoanion 668
                                  sulfur oxoanion 666
                                    sulfonate 115
                                      organosulfonate oxoanion 115
                                        alkanesulfonate oxoanion 9
                                          1,1-diunsubstituted alkanesulfonate 9
                                            hexadecane-1-sulfonate 0
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