4-oxo-4-(3-pyridyl)butanoic acid 4-oxo-4-(3-pyridyl)butanoic acid: structure in first source. 4-oxo-4-(pyridin-3-yl)butanoic acid : A monocarboxylic acid that is succinic acid in which the hydroxy group of one of the carboxy groups is replaced by a pyridin-3-yl group. A byproduct of tobacco-specific N-nitrosamines generated by cytochrome P-450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation, this nicotine metabolite is commonly found in the urine of smokers. | 2.03 | 1 | 0 | aromatic ketone; monocarboxylic acid; pyridines | |
4-biphenylamine 4-biphenylamine: used in detection of sulfates, & as a carcinogen in cancer research; RN given refers to parent cpd; structure. biphenyl-4-amine : An aminobiphenyl that is biphenyl substituted by an amino group at position 4. | 1.98 | 1 | 0 | aminobiphenyl | carcinogenic agent |
pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 1.99 | 1 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
n'-nitrosoanabasine N'-nitrosoanabasine: structure; RN given refers to cpd without isomeric designation | 2.13 | 1 | 0 | citraconoyl group | |
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 1.98 | 1 | 0 | dihydrogen | |
n'-nitrosonornicotine N'-nitrosonornicotine: structure; a potent carcinogen in laboratory animals | 4.6 | 8 | 0 | pyridines; pyrrolidines | |
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone: structure; from tobacco smoke | 4.6 | 8 | 0 | nitrosamine; pyridines | |
o-(6)-methylguanine O-(6)-methylguanine: structure. 6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.. methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent. | 1.98 | 1 | 0 | methylguanine | mutagen |
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 2.52 | 2 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
myosmine myosmine: alkaloid found in Nicotiana; structure. myosmine : A member of the class of pyridines that is pyridine substituted by a 3,4-dihydro-2H-pyrrol-5-yl group at position 3. It is an alkaloid found in tobacco plants and exhibits genotoxic effects. | 2.7 | 3 | 0 | pyridine alkaloid; pyrroline | EC 1.14.14.14 (aromatase) inhibitor; mutagen; plant metabolite |
n'-nitrosoanatabine N'-nitrosoanatabine: nitroso cpd prepared from alkaloid anatabine; structure given in first source | 2.13 | 1 | 0 | | |
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum. | 2.41 | 2 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
guanine [no description available] | 1.98 | 1 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |