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CHEBI:29865 - benzo[a]pyrene
| Formula | C20H12 |
| Net Charge | 0 |
| Average Mass | 252.316 |
| Monoisotopic Mass | 252.09390 |
| SMILES | c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 |
| 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 |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. |
| Application: | endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| benzo[a]pyrene (CHEBI:29865) has role carcinogenic agent (CHEBI:50903) |
| benzo[a]pyrene (CHEBI:29865) has role mouse metabolite (CHEBI:75771) |
| benzo[a]pyrene (CHEBI:29865) is a ortho- and peri-fused polycyclic arene (CHEBI:35300) |
| Incoming Relation(s) |
| 7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene (CHEBI:34479) has parent hydride benzo[a]pyrene (CHEBI:29865) |
| benzo[a]pyrene diol epoxide I (CHEBI:30614) has parent hydride benzo[a]pyrene (CHEBI:29865) |
| benzo[a]pyrene-7,8-dione (CHEBI:87752) has parent hydride benzo[a]pyrene (CHEBI:29865) |
| IUPAC Name |
|---|
| benzo[pqr]tetraphene |
| Synonyms | Source |
|---|---|
| Benzpyrene | KEGG COMPOUND |
| benzo[def]chrysene | ChEBI |
| 3,4-Benzpyrene | NIST Chemistry WebBook |
| 3,4-Benzopyrene | NIST Chemistry WebBook |
| 3,4-BP | NIST Chemistry WebBook |
| BP | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C07535 | KEGG COMPOUND |
| Benzo(a)pyrene | Wikipedia |
| LSM-2198 | LINCS |
| Citations |
|---|