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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:butane-1-sulfonate
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Accession:CHEBI:61911 term browser browse the term
Definition:An alkanesulfonate in which the alkyl group directly linked to the sulfonate functionality is butyl.
Synonyms:related_synonym: 1-butanesulfonate;   1-butanesulfonic acid (1-);   Butan-1-sulfonat;   Formula=C4H9O3S;   InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)/p-1;   InChIKey=QDHFHIQKOVNCNC-UHFFFAOYSA-M;   SMILES=CCCCS([O-])(=O)=O;   butane-1-sulfonate(1-);   butane-1-sulfonic acid (1-);   butane-1-sulfonic acid anion;   n-Butylsulfonatanion;   n-butyl-1-sulfonate (1-)
 xref: MetaCyc:CPD-3744;   Reaxys:3904079
 cyclic_relationship: is_conjugate_base_of CHEBI:61958


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      biological role 19711
        xenobiotic 18387
          1,1-diunsubstituted alkanesulfonate 7
            butane-1-sulfonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      chalcogen 19382
                        oxygen atom 19345
                          oxygen molecular entity 19345
                            oxide 11643
                              oxoanion 8755
                                chalcogen oxoanion 534
                                  sulfur oxoanion 533
                                    sulfonate 28
                                      organosulfonate oxoanion 28
                                        alkanesulfonate oxoanion 7
                                          1,1-diunsubstituted alkanesulfonate 7
                                            butane-1-sulfonate 0
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