12-Hydroxybenzo[a]pyrene (CHEBI:34149)

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ChEBI Name	12-Hydroxybenzo[a]pyrene

ChEBI ID	CHEBI:34149

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/c21-18-11-17-15-6-2-1-4-13(15)10-14-9-8-12-5-3-7-16(18)19(12)20(14)17/h1-11,21H

InChIKey

XWSLTTWKRKWHAT-UHFFFAOYSA-N

SMILES

Oc1cc2c3ccccc3cc3ccc4cccc1c4c23

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	12-Hydroxybenzo[a]pyrene (CHEBI:34149) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)

Synonym	Source
12-Hydroxybenzo[a]pyrene	KEGG COMPOUND

Registry Number	Type	Source
56892-33-2	CAS Registry Number	KEGG COMPOUND

Last Modified

28 July 2014