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CHEBI:39106 - pyrene
| Formula | C16H10 |
| Net Charge | 0 |
| Average Mass | 202.256 |
| Monoisotopic Mass | 202.07825 |
| SMILES | c1cc2ccc3cccc4ccc(c1)c2c34 |
| InChI | InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H |
| InChIKey | BBEAQIROQSPTKN-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | persistent organic pollutant Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. |
| Biological Role: | 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. |
| Applications: | fluorescent probe A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy. endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pyrene (CHEBI:39106) has role fluorescent probe (CHEBI:39442) |
| pyrene (CHEBI:39106) has role persistent organic pollutant (CHEBI:77853) |
| pyrene (CHEBI:39106) is a ortho- and peri-fused polycyclic arene (CHEBI:35300) |
| Incoming Relation(s) |
| 1-nitropyrene (CHEBI:34107) has parent hydride pyrene (CHEBI:39106) |
| 8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) has parent hydride pyrene (CHEBI:39106) |
| Alexa Fluor 405 (CHEBI:51746) has parent hydride pyrene (CHEBI:39106) |
| pyranine (CHEBI:52083) has parent hydride pyrene (CHEBI:39106) |
| pyranine(3−) (CHEBI:52861) has parent hydride pyrene (CHEBI:39106) |
| IUPAC Name |
|---|
| pyrene |
| Synonyms | Source |
|---|---|
| benzo[def]phenanthrene | NIST Chemistry WebBook |
| β-pyrene | NIST Chemistry WebBook |
| Pyren | ChemIDplus |
| Pyrene | KEGG COMPOUND |
| Citations |
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