CHEBI:34107 - 1-nitropyrene

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ChEBI Name 1-nitropyrene
ChEBI ID CHEBI:34107
Definition A nitroarene that is pyrene substituted at the 1-position by a nitro group. A by-product of combustion, it is the predominant nitrated polycyclic aromatic hydrocarbon emitted in a diesel engine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:76262
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Formula C16H9NO2
Net Charge 0
Average Mass 247.24820
Monoisotopic Mass 247.063
InChI InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChIKey ALRLPDGCPYIVHP-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34
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.
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ChEBI Ontology
Outgoing 1-nitropyrene (CHEBI:34107) has parent hydride pyrene (CHEBI:39106)
1-nitropyrene (CHEBI:34107) has role carcinogenic agent (CHEBI:50903)
1-nitropyrene (CHEBI:34107) is a nitroarene (CHEBI:51132)
IUPAC Name
1-nitropyrene
Synonyms Sources
1-Nitropyrene KEGG COMPOUND
3-Nitropyrene ChemIDplus
Database Links Databases
1-Nitropyrene Wikipedia
C14421 KEGG COMPOUND
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Registry Numbers Types Sources
1882811 Beilstein Registry Number ChemIDplus
1882811 Reaxys Registry Number Reaxys
5522-43-0 CAS Registry Number KEGG COMPOUND
5522-43-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21861515 PubMed citation Europe PMC
21872649 PubMed citation Europe PMC
22458822 PubMed citation Europe PMC
23348104 PubMed citation Europe PMC
Last Modified
24 March 2014