CHEBI:34567 - benzo[e]pyrene

ChEBI IDCHEBI:34567
ChEBI Namebenzo[e]pyrene
Stars
ASCII Namebenzo[e]pyrene
DefinitionAn ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC.
Last Modified26 February 2016
DownloadsMolfile
FormulaC20H12
Net Charge0
Average Mass252.316
Monoisotopic Mass252.09390
SMILESc1ccc2c(c1)c1cccc3ccc4cccc2c4c31
InChIInChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
InChIKeyTXVHTIQJNYSSKO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
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.
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.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
benzo[e]pyrene (CHEBI:34567) has role carcinogenic agent (CHEBI:50903)
benzo[e]pyrene (CHEBI:34567) has role mutagen (CHEBI:25435)
benzo[e]pyrene (CHEBI:34567) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
IUPAC Name 
benzo[e]pyrene
Synonyms  Source
1,2-BenzopyreneChemIDplus
1,2-BenzpyreneKEGG COMPOUND
4,5-BenzopyreneChemIDplus
4,5-BenzpyreneChemIDplus
9,10-BenzpyreneChemIDplus
Benzo(e)pyreneChemIDplus
Manual XrefsDatabases
Benzo(e)pyreneWikipedia
C14435KEGG COMPOUND
LSM-36984LINCS
Registry NumbersSources
Reaxys:1911334Reaxys
CAS:192-97-2NIST Chemistry WebBook
CAS:192-97-2KEGG COMPOUND
CAS:192-97-2ChemIDplus
Citations