benzo[a]pyrene (CHEBI:29865)

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ChEBI Name	benzo[a]pyrene

ChEBI ID	CHEBI:29865

ChEBI ASCII Name	benzo[a]pyrene

Definition	An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.

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

Secondary ChEBI IDs	CHEBI:3045, CHEBI:22716

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Formula

C20H12

Net Charge

Average Mass

252.30928

Monoisotopic Mass

252.09390

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

SMILES

c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	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. (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	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	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

Last Modified

24 February 2016