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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:benzododecinium
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Accession:CHEBI:135611 term browser browse the term
Definition:A quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine.
Synonyms:exact_synonym: N-benzyl-N,N-dimethyldodecan-1-aminium
 related_synonym: Formula=C21H38N;   InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1;   InChIKey=CYDRXTMLKJDRQH-UHFFFAOYSA-N;   N,N-dimethyl-N-benzyl-1-dodecanaminium;   N,N-dimethyl-N-benzyldodecan-1-aminium;   N-benzyl-N-dodecyl-N,N-dimethylammonium;   N-dodecyl-N,N-dimethylbenzenemethanaminium;   SMILES=CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1;   benzyl(dodecyl)dimethylazanium;   benzyldimethyldodecylammonium ion;   benzyldodecyldimethylammonium;   dimethyl(benzyl)(dodecyl)aminium;   dimethyldodecylbenzylammonium;   dimethyllaurylbenzylammonium;   dodecyldimethyl(benzyl)aminium;   lauryldimethylbenzylammonium
 xref: CAS:10328-35-5;   Chemspider:8424;   DrugBank:DB13282;   Drug_Central:3017;   PMID:28257953;   PMID:28930155



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20057
    chemical entity 20068
      molecular entity 20056
        ion 16515
          organic ion 9262
            organic cation 8201
              quaternary ammonium ion 5215
                benzododecinium 0
                  benzododecinium bromide 0
                  benzododecinium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20057
    subatomic particle 20056
      composite particle 20068
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19971
                    main group molecular entity 19959
                      s-block molecular entity 19758
                        hydrogen molecular entity 19764
                          hydrides 19134
                            inorganic hydride 17935
                              pnictogen hydride 17901
                                nitrogen hydride 17789
                                  ammonium 8314
                                    ammonium ion derivative 8310
                                      quaternary ammonium ion 5215
                                        benzododecinium 0
                                          benzododecinium bromide 0
                                          benzododecinium chloride 0
paths to the root