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benzo[a]pyrene

Properties

Image

Occurences in reactions

MNX_ID

MNXM3216

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	7

formula

C₂₀H₁₂

charge

mass

252.0939

reference

InChIKey

FMMWHPNWAFZXNH-UHFFFAOYSA-N

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

SMILES

c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29865 chebi:29865	benzo[a]pyrene (B(a)P) 3,4-BP 3,4-Benzopyrene 3,4-Benzpyrene BP Benzo(a)pyrene Benzo[a]pyrene Benzpyrene benzo[def]chrysene benzo[pqr]tetraphene
envipath:...92b63824fde1 envipathM:...92b63824fde1	Benzo(a)pyrene
hmdb:HMDB0062469	Benzo[a]pyrene (b(a)p) 3,4 Benzopyrene 3,4 Benzpyrene 3,4-BP 3,4-Benzopyrene 3,4-Benzpyrene BP Benzo(a)pyrene Benzo[def]chrysene Benzpyrene pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1(19),2,4,6,8,10,12(20),13,15,17-decaene
kegg.compound:C07535 keggC:C07535	Benzo[a]pyrene Benzpyrene
bigg.metabolite:C07535 biggM:C07535	Benzpyrene
seed.compound:cpd04705 seedM:cpd04705	Benzpyrene Benzo[a]pyrene
envipath:...e85efdfe482d envipathM:...e85efdfe482d	compound 0044871
hmdb:HMDB62469 chebi:22716 chebi:3045 biggM:M_C07535 keggC:M_C07535 seedM:M_cpd04705	secondary/obsolete/fantasy identifier