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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-sulfonic acid
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Accession:CHEBI:43043 term browser browse the term
Definition:An alkanesulfonic acid that has formula 306.50536.
Synonyms:related_synonym: 1-HEXADECANOSULFONIC ACID;   1-hexadecanesulfonic acid;   Formula=C16H34O3S;   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);   InChIKey=SSILHZFTFWOUJR-UHFFFAOYSA-N;   SMILES=CCCCCCCCCCCCCCCCS(O)(=O)=O;   cetylsulfonic acid;   hexadecane-1-sulphonic acid
 alt_id: CHEBI:32912;   CHEBI:43039
 xref: Beilstein:1789439;   CAS:6140-88-1;   DrugBank:DB02776;   PDBeChem:HDS
 cyclic_relationship: is_conjugate_acid_of CHEBI:32913


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      group 19768
        inorganic group 19361
          sulfo group 9917
            organosulfonic acid 9917
              alkanesulfonic acid 4007
                hexadecane-1-sulfonic acid 0
                  hexadecane-1-sulfonyl fluoride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              oxoacid 18725
                                chalcogen oxoacid 13752
                                  sulfur oxoacid 13540
                                    sulfonic acid 11576
                                      sulfo group 9917
                                        organosulfonic acid 9917
                                          alkanesulfonic acid 4007
                                            hexadecane-1-sulfonic acid 0
                                              hexadecane-1-sulfonyl fluoride 0
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