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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:dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium
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Accession:CHEBI:94725 term browser browse the term
Definition:An alkylbenzene that has formula C27H42NO2.
Synonyms:related_synonym: Formula=C27H42NO2;   InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1;   InChIKey=SIYLLGKDQZGJHK-UHFFFAOYSA-N;   SMILES=CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2;   benzethionium chloride;   benzethonium chloride;   benzetonium chloride
 xref: CAS:121-54-0;   Drug_Central:3018;   LINCS:LSM-5804
 xref_mesh: MESH:D001558


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dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ccl2 C-C motif chemokine ligand 2 decreases expression ISO Benzethonium results in decreased expression of CCL2 protein CTD PMID:20116850 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Ccl3 C-C motif chemokine ligand 3 decreases expression ISO Benzethonium results in decreased expression of CCL3 protein CTD PMID:20116850 NCBI chr10:70,869,516...70,871,066
Ensembl chr10:70,869,513...70,871,066
JBrowse link
G Ccl4 C-C motif chemokine ligand 4 decreases expression ISO Benzethonium results in decreased expression of CCL4 protein CTD PMID:20116850 NCBI chr10:70,870,926...70,886,357
Ensembl chr10:70,884,531...70,886,355
JBrowse link
G Ccl5 C-C motif chemokine ligand 5 decreases expression ISO Benzethonium results in decreased expression of CCL5 protein CTD PMID:20116850 NCBI chr10:70,739,764...70,744,303
Ensembl chr10:70,739,800...70,744,315
JBrowse link
G Ifng interferon gamma multiple interactions ISO [Benzethonium co-treated with Ionomycin co-treated with Tetradecanoylphorbol Acetate] results in decreased expression of IFNG mRNA CTD PMID:29594315 NCBI chr 7:61,337,383...61,341,419
Ensembl chr 7:61,337,381...61,341,419
JBrowse link
G Il1b interleukin 1 beta decreases expression ISO Benzethonium results in decreased expression of IL1B mRNA CTD PMID:29594315 NCBI chr 3:121,876,256...121,882,637
Ensembl chr 3:121,876,263...121,882,726
JBrowse link
G Il2 interleukin 2 multiple interactions ISO [Benzethonium co-treated with Ionomycin co-treated with Tetradecanoylphorbol Acetate] results in decreased expression of IL2 mRNA CTD PMID:29594315 NCBI chr 2:123,847,150...123,851,854
Ensembl chr 2:123,847,150...123,851,854
JBrowse link
G Il6r interleukin 6 receptor decreases expression ISO Benzethonium results in decreased expression of IL6R protein modified form CTD PMID:20116850 NCBI chr 2:189,196,180...189,255,987
Ensembl chr 2:189,205,701...189,254,628
JBrowse link
G Kcna3 potassium voltage-gated channel subfamily A member 3 decreases activity
multiple interactions
ISO Benzethonium results in decreased activity of KCNA3 protein
[Benzethonium results in decreased activity of KCNA3 protein] which results in decreased import of Thallium
CTD PMID:21362439 NCBI chr 2:209,766,767...209,768,344
Ensembl chr 2:209,766,512...209,769,711
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity
multiple interactions
ISO Benzethonium results in decreased activity of KCNH2 protein
[Benzethonium results in decreased activity of KCNH2 protein] which results in decreased import of Thallium
CTD PMID:21362439 PMID:23313619 PMID:24052561 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO Benzethonium inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link
G Vegfa vascular endothelial growth factor A decreases expression ISO Benzethonium results in decreased expression of VEGFA protein CTD PMID:20116850 NCBI chr 9:17,340,341...17,355,681
Ensembl chr 9:17,340,341...17,355,681
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      chemical role 19256
        environmental contaminant 18595
          benzene 5643
            alkylbenzene 3365
              dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium 12
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    main group molecular entity 19658
                      s-block molecular entity 19423
                        hydrogen molecular entity 19416
                          hydrides 18755
                            organic hydride 18356
                              organic fundamental parent 18356
                                hydrocarbon 18074
                                  cyclic hydrocarbon 17089
                                    monocyclic hydrocarbon 5816
                                      annulene 5643
                                        aromatic annulene 5643
                                          benzene 5643
                                            alkylbenzene 3365
                                              dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium 12
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