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CHEBI:34337 - 3-Hydroxybenzo[a]pyrene

ChEBI IDCHEBI:34337
ChEBI Name3-Hydroxybenzo[a]pyrene
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H12O
Net Charge0
Average Mass268.315
Monoisotopic Mass268.08882
SMILESOc1ccc2ccc3c4ccccc4cc4ccc1c2c43
InChIInChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
InChIKeySPUUWWRWIAEPDB-UHFFFAOYSA-N
Roles Classification
Biological Role:
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)
3-Hydroxybenzo[a]pyrene (CHEBI:34337) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym  Source
3-Hydroxybenzo[a]pyreneKEGG COMPOUND
Manual XrefsDatabases
C14461KEGG COMPOUND
Registry NumbersSources
CAS:13345-21-6KEGG COMPOUND