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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:benzo[e]pyrene
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Accession:CHEBI:34567 term browser browse the term
Definition:An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC.
Synonyms:related_synonym: 1,2-Benzopyrene;   1,2-Benzpyrene;   4,5-Benzopyrene;   4,5-Benzpyrene;   9,10-Benzpyrene;   B(e)P;   Benzo(l)pyrene;   Formula=C20H12;   InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H;   InChIKey=TXVHTIQJNYSSKO-UHFFFAOYSA-N;   SMILES=c1ccc2c(c1)c1cccc3ccc4cccc2c4c13
 xref: Beilstein:1911334;   CAS:192-97-2;   KEGG:C14435;   LINCS:LSM-36984
 xref_mesh: MESH:C026487
 xref: PMID:24812998;   PMID:25903191;   PMID:7561049;   Reaxys:1911334;   Wikipedia:Benzo(e)pyrene


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    Path 1
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      CHEBI ontology 19808
        role 19784
          biological role 19782
            aetiopathogenetic role 19166
              carcinogenic agent 18496
                benzo[e]pyrene 2274
    Path 2
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      CHEBI ontology 19808
        subatomic particle 19806
          composite particle 19806
            hadron 19806
              baryon 19806
                nucleon 19806
                  atomic nucleus 19806
                    atom 19806
                      main group element atom 19756
                        main group molecular entity 19756
                          s-block molecular entity 19595
                            hydrogen molecular entity 19582
                              hydrides 19095
                                organic hydride 18669
                                  organic fundamental parent 18669
                                    hydrocarbon 18415
                                      cyclic hydrocarbon 17215
                                        arene 17195
                                          polycyclic arene 17023
                                            ortho- and peri-fused polycyclic arene 16279
                                              benzo[e]pyrene 2274
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