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
Supplier Information eMolecules:1934499, ZINC000004096986
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Nickel is a chemical element; it has symbol Ni and atomic number 28. It is a silvery-white lustrous metal with a slight golden tinge. Nickel is a hard and ductile transition metal. Pure nickel is chemically reactive, but large pieces are slow to react with air under standard conditions because a passivation layer of nickel oxide forms on the surface that prevents further corrosion. Even so, pure native nickel is found in Earth's crust only in tiny amounts, usually in ultramafic rocks, and in the interiors of larger nickel–iron meteorites that were not exposed to oxygen when outside Earth's atmosphere. Meteoric nickel is found in combination with iron, a reflection of the origin of those elements as major end products of supernova nucleosynthesis. An iron–nickel mixture is thought to compose Earth's outer and inner cores. Use of nickel (as natural meteoric nickel–iron alloy) has been traced as far back as 3500 BCE. Nickel was first isolated and classified as an element in 1751 by Axel Fredrik Cronstedt, who initially mistook the ore for a copper mineral, in the cobalt mines of Los, Hälsingland, Sweden. The element's name comes from a mischievous sprite of German miner mythology, Nickel (similar to Old Nick). Nickel minerals can be green, like copper ores, and were known as kupfernickel – Nickel's copper – because they produced no copper. Although most nickel in the earth's crust exists as oxides, economically more important nickel ores are sulfides, especially pentlandite. Major production sites include Sulawesi, Indonesia, the Sudbury region, Canada (which is thought to be of meteoric origin), New Caledonia in the Pacific, Western Australia, and Norilsk, Russia. Nickel is one of four elements (the others are iron, cobalt, and gadolinium) that are ferromagnetic at about room temperature. Alnico permanent magnets based partly on nickel are of intermediate strength between iron-based permanent magnets and rare-earth magnets. The metal is used chiefly in alloys and corrosion-resistant plating. About 68% of world production is used in stainless steel. A further 10% is used for nickel-based and copper-based alloys, 9% for plating, 7% for alloy steels, 3% in foundries, and 4% in other applications such as in rechargeable batteries, including those in electric vehicles (EVs). Nickel is widely used in coins, though nickel-plated objects sometimes provoke nickel allergy. As a compound, nickel has a number of niche chemical manufacturing uses, such as a catalyst for hydrogenation, cathodes for rechargeable batteries, pigments and metal surface treatments. Nickel is an essential nutrient for some microorganisms and plants that have enzymes with nickel as an active site.
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Formula C16H9NO2
Net Charge 0
Average Mass 247.24820
Monoisotopic Mass 247.06333
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
Manual Xrefs Databases
1-Nitropyrene Wikipedia
C14421 KEGG COMPOUND
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Registry Numbers Types Sources
1882811 Reaxys Registry Number Reaxys
5522-43-0 CAS Registry Number KEGG COMPOUND
5522-43-0 CAS Registry Number ChemIDplus
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