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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:butylbenzene
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Accession:CHEBI:44194 term browser browse the term
Definition:An alkylbenzene that is benzene substituted by a butyl group at position 1.
Synonyms:related_synonym: 1-butylbenzene;   1-phenylbutane;   Formula=C10H14;   InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3;   InChIKey=OCKPCBLVNKHBMX-UHFFFAOYSA-N;   SMILES=CCCCc1ccccc1;   n-butylbenzene
 alt_id: CHEBI:33182;   CHEBI:44193
 xref: Beilstein:1903395;   CAS:104-51-8;   DrugBank:DB01845;   Gmelin:261411;   HMDB:HMDB0059812;   KEGG:C18150
 xref_mesh: MESH:C053761
 xref: PDBeChem:N4B;   PMID:21328399;   PMID:23270871;   Reaxys:1903395


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butylbenzene term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Esr2 estrogen receptor 2 affects binding ISO n-butylbenzene binds to ESR2 protein CTD PMID:12224631 NCBI chr 6:99,163,953...99,214,711
Ensembl chr 6:99,164,357...99,214,251
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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
              butylbenzene 1
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
                                              butylbenzene 1
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