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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:lauryl sulfobetaine
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Accession:CHEBI:75303 term browser browse the term
Definition:An ammonium betaine in which the ammonium nitrogen is substituted by dodecyl, 3-sulfatopropyl and two methyl groups.
Synonyms:exact_synonym: 3-[dodecyl(dimethyl)azaniumyl]propane-1-sulfonate
 related_synonym: 3-(N,N-dimethyldodecylammonio)propanesulfonate;   3-(N,N-dimethyllaurylammonio)propanesulfonate;   3-(dodecyldimethylammonio)propanesulfonate;   3-(lauryldimethylammonio)propanesulfonate;   Formula=C17H37NO3S;   InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3;   InChIKey=IZWSFJTYBVKZNK-UHFFFAOYSA-N;   Lauryl sultaine;   N,N-Dimethyl-N-(3-sulfopropyl)-1-dodecanaminium hydroxide inner salt;   N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate;   SB3-12;   SMILES=CCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O;   dodecyl sulfobetaine;   dodecyldimethyl(3-sulphonatopropyl)ammonium;   zwittergent 3-12
 xref: CAS:14933-08-5;   Chemspider:76413;   MetaCyc:CPD-10672;   PMID:19072857;   PMID:20572645;   PMID:22736477;   PMID:2625482;   Patent:WO2005065708;   Patent:WO2012160187;   Reaxys:4145308
 cyclic_relationship: is_conjugate_base_of CHEBI:41362



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  CHEBI ontology 19904
    role 19880
      application 19715
        detergent 3648
          lauryl sulfobetaine 0
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  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19852
                    main group molecular entity 19852
                      s-block molecular entity 19684
                        hydrogen molecular entity 19670
                          hydrides 19149
                            inorganic hydride 18128
                              pnictogen hydride 18117
                                nitrogen hydride 18020
                                  ammonium 8315
                                    ammonium ion derivative 8310
                                      quaternary ammonium ion 5273
                                        quaternary nitrogen compound 852
                                          ammonium betaine 353
                                            lauryl sulfobetaine 0
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