9-Hydroxybenzo[a]pyrene (CHEBI:34512)

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ChEBI Name	9-Hydroxybenzo[a]pyrene

ChEBI ID	CHEBI:34512

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C20H12O

Net Charge

Average Mass

268.309

Monoisotopic Mass

268.08882

InChI

InChI=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

InChIKey

OBBBXCAFTKLFGZ-UHFFFAOYSA-N

SMILES

Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Biological Role(s):	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. (via polycyclic arene )

Application(s):	endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via polycyclic arene )

ChEBI Ontology
Outgoing	9-Hydroxybenzo[a]pyrene (CHEBI:34512) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)

Synonym	Source
9-Hydroxybenzo[a]pyrene	KEGG COMPOUND

Registry Number	Type	Source
17573-21-6	CAS Registry Number	KEGG COMPOUND

Last Modified

27 January 2016