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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:dodecyltrimethylammonium ion
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Accession:CHEBI:41378 term browser browse the term
Definition:A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.
Synonyms:exact_synonym: N,N,N-trimethyldodecan-1-aminium
 related_synonym: DODECANE-TRIMETHYLAMINE;   Dodecyltrimethylammonium;   Dotac compound;   Formula=C15H34N;   InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1;   InChIKey=VICYBMUVWHJEFT-UHFFFAOYSA-N;   N,N,N-Trimethyl-1-dodecanaminium;   SMILES=CCCCCCCCCCCC[N+](C)(C)C;   dodecyl-trimethyl-azanium;   n-Dodecyltrimethylammonium
 xref: Beilstein:1758517;   CAS:10182-91-9;   DrugBank:DB02779
 xref_mesh: MESH:C022806
 xref: PDBeChem:CAT;   PMID:23347998;   PMID:24405384;   Reaxys:1758517


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      molecular entity 5051
        ion 168
          organic ion 107
            organic cation 91
              quaternary ammonium ion 41
                dodecyltrimethylammonium ion 0
                  dodecyltrimethylammonium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    main group molecular entity 5012
                      s-block molecular entity 4970
                        hydrogen molecular entity 4964
                          hydrides 4544
                            inorganic hydride 403
                              pnictogen hydride 399
                                nitrogen hydride 399
                                  ammonium 50
                                    ammonium ion derivative 49
                                      quaternary ammonium ion 41
                                        dodecyltrimethylammonium ion 0
                                          dodecyltrimethylammonium bromide 0
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