pyrene (CHEBI:39106)

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ChEBI Name	pyrene

ChEBI ID	CHEBI:39106

Definition	An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:29860, CHEBI:34940

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Formula

C16H10

Net Charge

Average Mass

202.256

Monoisotopic Mass

202.07825

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

SMILES

C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1

Roles Classification
Chemical Role(s):	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(s):	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. (via polycyclic arene )

Application(s):	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 (via polycyclic arene )

ChEBI Ontology
Outgoing	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	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

Last Modified

27 May 2021