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CHEBI:29865 - benzo[a]pyrene

ChEBI IDCHEBI:29865
ChEBI Namebenzo[a]pyrene
Stars
ASCII Namebenzo[a]pyrene
DefinitionAn ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.
Secondary ChEBI IDsCHEBI:3045, CHEBI:22716
Last Modified24 February 2016
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC20H12
Net Charge0
Average Mass252.316
Monoisotopic Mass252.09390
SMILESc1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
InChIInChI=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
InChIKeyFMMWHPNWAFZXNH-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
benzo[pqr]tetraphene
Synonyms  Source
BenzpyreneKEGG COMPOUND
benzo[def]chryseneChEBI
3,4-BenzpyreneNIST Chemistry WebBook
3,4-BenzopyreneNIST Chemistry WebBook
3,4-BPNIST Chemistry WebBook
BPNIST Chemistry WebBook
Manual XrefsDatabases
C07535KEGG COMPOUND
Benzo(a)pyreneWikipedia
LSM-2198LINCS
Registry NumbersSources
Gmelin:262573Gmelin
Reaxys:1911333Reaxys
CAS:50-32-8KEGG COMPOUND
CAS:50-32-8ChemIDplus
CAS:50-32-8NIST Chemistry WebBook
Citations