6-Nitrobenzo[a]pyrene (CHEBI:82503)

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ChEBI Name	6-Nitrobenzo[a]pyrene

ChEBI ID	CHEBI:82503

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C20H11NO2

Net Charge

Average Mass

297.30680

Monoisotopic Mass

297.07898

InChI

InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H

InChIKey

NMMAFYSZGOFZCM-UHFFFAOYSA-N

SMILES

[O-][N+](=O)c1c2ccccc2c2ccc3cccc4ccc1c2c34

Roles Classification
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):	endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via polycyclic arene )

ChEBI Ontology
Outgoing	6-Nitrobenzo[a]pyrene (CHEBI:82503) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)

Registry Number	Type	Source
63041-90-7	CAS Registry Number	KEGG COMPOUND