{ "iri" : "http://purl.obolibrary.org/obo/CHEBI_29865", "lang" : "en", "description" : [ "An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings." ], "synonyms" : [ "Benzo[a]pyrene", "benzo[pqr]tetraphene", "(B(a)P)", "3,4-BP", "3,4-Benzopyrene", "3,4-Benzpyrene", "BP", "Benzo(a)pyrene", "Benzpyrene", "benzo[def]chrysene" ], "annotation" : { "charge" : [ "0" ], "formula" : [ "C20H12" ], "has_alternative_id" : [ "CHEBI:22716", "CHEBI:3045" ], "has_dbxref" : [ "CAS:50-32-8", "Gmelin:262573", "KEGG:C07535", "LINCS:LSM-2198", "PMID:11932001", "PMID:16256111", "PMID:16381670", "PMID:1844333", "PMID:26530167", "PMID:26703252", "PMID:7561049", "PMID:7721048", "Reaxys:1911333", "Wikipedia:Benzo(a)pyrene" ], "has_obo_namespace" : [ "chebi_ontology" ], "id" : [ "CHEBI:29865" ], "inchi" : [ "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H" ], "inchikey" : [ "FMMWHPNWAFZXNH-UHFFFAOYSA-N" ], "mass" : [ "252.30928" ], "monoisotopicmass" : [ "252.09390" ], "smiles" : [ "c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34" ] }, "label" : "benzo[a]pyrene", "ontology_name" : "chebi", "ontology_prefix" : "CHEBI", "ontology_iri" : "http://purl.obolibrary.org/obo/chebi.owl", "is_obsolete" : false, "term_replaced_by" : null, "is_defining_ontology" : true, "has_children" : false, "is_root" : false, "short_form" : "CHEBI_29865", "obo_id" : "CHEBI:29865", "in_subset" : [ "3_STAR" ], "obo_definition_citation" : null, "obo_xref" : [ { "database" : "CAS", "id" : "50-32-8", "description" : "ChemIDplus", "url" : null }, { "database" : "CAS", "id" : "50-32-8", "description" : "KEGG COMPOUND", "url" : null }, { "database" : "CAS", "id" : "50-32-8", "description" : "NIST Chemistry WebBook", "url" : null }, { "database" : "Gmelin", "id" : "262573", "description" : "Gmelin", "url" : null }, { "database" : "KEGG", "id" : "C07535", "description" : null, "url" : "http://www.kegg.jp/entry/C07535" }, { "database" : "LINCS", "id" : "LSM-2198", "description" : null, "url" : null }, { "database" : "PMID", "id" : "11932001", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/11932001" }, { "database" : "PMID", "id" : "16256111", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/16256111" }, { "database" : "PMID", "id" : "16381670", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/16381670" }, { "database" : "PMID", "id" : "1844333", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/1844333" }, { "database" : "PMID", "id" : "26530167", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/26530167" }, { "database" : "PMID", "id" : "26703252", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/26703252" }, { "database" : "PMID", "id" : "7561049", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/7561049" }, { "database" : "PMID", "id" : "7721048", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/7721048" }, { "database" : "Reaxys", "id" : "1911333", "description" : "Reaxys", "url" : null }, { "database" : "Wikipedia", "id" : "Benzo(a)pyrene", "description" : null, "url" : null } ], "obo_synonym" : [ { "name" : "Benzo[a]pyrene", "scope" : "hasExactSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "KEGG_COMPOUND", "description" : null, "url" : null } ] }, { "name" : "benzo[pqr]tetraphene", "scope" : "hasExactSynonym", "type" : "IUPAC NAME", "xrefs" : [ { "database" : null, "id" : "IUPAC", "description" : null, "url" : null } ] }, { "name" : "(B(a)P)", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChEBI", "description" : null, "url" : null } ] }, { "name" : "3,4-BP", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "3,4-Benzopyrene", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "3,4-Benzpyrene", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "BP", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "Benzo(a)pyrene", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "Benzpyrene", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "KEGG_COMPOUND", "description" : null, "url" : null } ] }, { "name" : "benzo[def]chrysene", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChEBI", "description" : null, "url" : null } ] } ], "is_preferred_root" : false, "_links" : { "self" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865?lang=en" }, "parents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865/parents" }, "ancestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865/ancestors" }, "hierarchicalParents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865/hierarchicalParents" }, "hierarchicalAncestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865/hierarchicalAncestors" }, "jstree" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865/jstree" }, "graph" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865/graph" }, "has_role" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_29865/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FRO_0000087" } } }