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CHEBI:34512 - 9-Hydroxybenzo[a]pyrene

ChEBI IDCHEBI:34512
ChEBI Name9-Hydroxybenzo[a]pyrene
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H12O
Net Charge0
Average Mass268.315
Monoisotopic Mass268.08882
SMILESOc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45
InChIInChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H
InChIKeyOBBBXCAFTKLFGZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
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)
9-Hydroxybenzo[a]pyrene (CHEBI:34512) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym  Source
9-Hydroxybenzo[a]pyreneKEGG COMPOUND
Manual XrefsDatabases
C14556KEGG COMPOUND
HMDB0062438HMDB
Registry NumbersSources
CAS:17573-21-6KEGG COMPOUND