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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:2,4-dibromophenyl 2,4,5-tribromophenyl ether
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Accession:CHEBI:81582 term browser browse the term
Definition:A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.
Synonyms:related_synonym: 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene;   2,2',4,4',5-pentabromodiphenyl ether;   BDE 99;   Formula=C12H5Br5O;   InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H;   InChIKey=WHPVYXDFIXRKLN-UHFFFAOYSA-N;   PBDE 99;   SMILES=O(C=1C=C(C(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br
 alt_id: MESH:C477694
 xref: CAS:60348-60-9;   HMDB:HMDB0037516;   KEGG:C18203
 xref_mesh: MESH:C477694
 xref: PMID:23258742;   PMID:25081382;   PMID:25747361;   PMID:25908029;   PMID:25956475;   PMID:26505652;   PMID:26923239;   PMID:27343407;   PMID:27471519;   PMID:28006665;   PMID:28007175;   PMID:28034496;   PMID:28104345;   PMID:28317842;   PMID:28512710;   PMID:28525869;   PMID:28557710;   Reaxys:7538447


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Path 1
Term Annotations click to browse term
  CHEBI ontology 498
    role 498
      application 454
        flame retardant 8
          brominated flame retardant 0
            polybromodiphenyl ether 0
              2,4-dibromophenyl 2,4,5-tribromophenyl ether 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 498
    subatomic particle 498
      composite particle 498
        hadron 498
          baryon 498
            nucleon 498
              atomic nucleus 498
                atom 498
                  main group element atom 491
                    p-block element atom 491
                      carbon group element atom 480
                        carbon atom 479
                          organic molecular entity 479
                            organic molecule 468
                              organic cyclic compound 451
                                carbocyclic compound 191
                                  benzenoid aromatic compound 189
                                    benzenes 183
                                      bromobenzenes 2
                                        polybromodiphenyl ether 0
                                          2,4-dibromophenyl 2,4,5-tribromophenyl ether 0
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