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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:1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium
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Accession:CHEBI:103859 term browser browse the term
Definition:An alkylbenzene that has formula C26H40NO.
Synonyms:related_synonym: Formula=C26H40NO;   InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1;   InChIKey=PDJZSOPTHHVYSX-UHFFFAOYSA-N;   SMILES=CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)C(C)(C)CC
 xref: LINCS:LSM-15210


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Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      chemical role 21424
        environmental contaminant 20011
          benzene 5850
            alkylbenzene 3513
              1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    main group molecular entity 22120
                      s-block molecular entity 21717
                        hydrogen molecular entity 21634
                          hydrides 20777
                            organic hydride 20333
                              organic fundamental parent 20333
                                hydrocarbon 19911
                                  cyclic hydrocarbon 17957
                                    monocyclic hydrocarbon 6197
                                      annulene 5850
                                        aromatic annulene 5850
                                          benzene 5850
                                            alkylbenzene 3513
                                              1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium 0
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