4-(Methylnitrosoamino)-4-(3-pyridyl)-1-butanol (BioDeep_00000174876)

   

human metabolite blood metabolite


代谢物信息卡片


N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide

化学式: C10H15N3O2 (209.116421)
中文名称: 4-(N-甲基-N-亚硝胺)-4-(3-吡啶基)丁醇
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CN(C(CCCO)C1=CN=CC=C1)N=O
InChI: InChI=1S/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3

描述信息

D009676 - Noxae > D002273 - Carcinogens

同义名列表

4 个代谢物同义名

N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide; 4-[methyl(nitroso)amino]-4-(pyridin-3-yl)butan-1-ol; 4-(Methylnitrosoamino)-4-(3-pyridyl)-1-butanol; Iso-nnal



数据库引用编号

4 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Youyou Yang, Honggang Nie, Chenchen Li, Yu Bai, Ning Li, Jie Liao, Huwei Liu. On-line concentration and determination of tobacco-specific N-nitrosamines by cation-selective exhaustive injection-sweeping-micellar electrokinetic chromatography. Talanta. 2010 Oct; 82(5):1797-801. doi: 10.1016/j.talanta.2010.07.075. [PMID: 20875579]
  • Maciej L Goniewicz, Christopher M Havel, Margaret Wilson Peng, Peyton Jacob, Delia Dempsey, Lisa Yu, Wioleta Zielinska-Danch, Bartosz Koszowski, Jan Czogala, Andrzej Sobczak, Neal L Benowitz. Elimination kinetics of the tobacco-specific biomarker and lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 2009 Dec; 18(12):3421-5. doi: 10.1158/1055-9965.epi-09-0874. [PMID: 19959691]
  • Joshua E Muscat, Gang Chen, Ashley Knipe, Steven D Stellman, Philip Lazarus, John P Richie. Effects of menthol on tobacco smoke exposure, nicotine dependence, and NNAL glucuronidation. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 2009 Jan; 18(1):35-41. doi: 10.1158/1055-9965.epi-08-0744. [PMID: 19124478]
  • Chenchen Li, Dawei Wen, Jianxun Zhang, Zheng Chen, Weihong Cong, Zhihua Rao, Huwei Liu. Study of the metabolism on tobacco-specific N-nitrosamines in the rabbit by solid-phase extraction and liquid chromatography-tandem mass spectrometry. Analytical and bioanalytical chemistry. 2006 Dec; 386(7-8):1985-93. doi: 10.1007/s00216-006-0884-5. [PMID: 17068671]
  • Chenchen Li, Zheng Chen, Dawei Wen, Jianxun Zhang, Weihong Cong, Bing Yu, Yiping Liao, Huwei Liu. Determination of tobacco-specific N-nitrosamines in rabbit serum by capillary zone electrophoresis and capillary electrophoresis-electrospray ionization-mass spectrometry with solid-phase extraction. Electrophoresis. 2006 Jun; 27(11):2152-63. doi: 10.1002/elps.200600009. [PMID: 16637020]
  • B Brown, J Avalos, C Lee, D Doolittle. The effect of tobacco smoke, nicotine, and cotinine on the mutagenicity of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL). Mutation research. 2001 Jul; 494(1-2):21-9. doi: 10.1016/s1383-5718(01)00174-7. [PMID: 11423342]
  • A Milunsky, S G Carmella, M Ye, S S Hecht. A tobacco-specific carcinogen in the fetus. Prenatal diagnosis. 2000 Apr; 20(4):307-10. doi: 10.1002/(sici)1097-0223(200004)20:4<307::aid-pd797>3.0.co;2-m. [PMID: 10740203]
  • S G Carmella, M Ye, P Upadhyaya, S S Hecht. Stereochemistry of metabolites of a tobacco-specific lung carcinogen in smokers' urine. Cancer research. 1999 Aug; 59(15):3602-5. doi: NULL. [PMID: 10446969]
  • P Upadhyaya, P M Kenney, J B Hochalter, M Wang, S S Hecht. Tumorigenicity and metabolism of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol enantiomers and metabolites in the A/J mouse. Carcinogenesis. 1999 Aug; 20(8):1577-82. doi: 10.1093/carcin/20.8.1577. [PMID: 10426810]
  • S S Hecht, S G Carmella, M Chen, J F Dor Koch, A T Miller, S E Murphy, J A Jensen, C L Zimmerman, D K Hatsukami. Quantitation of urinary metabolites of a tobacco-specific lung carcinogen after smoking cessation. Cancer research. 1999 Feb; 59(3):590-6. doi: NULL. [PMID: 9973205]
  • J P Richie, S G Carmella, J E Muscat, D G Scott, S A Akerkar, S S Hecht. Differences in the urinary metabolites of the tobacco-specific lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in black and white smokers. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 1997 Oct; 6(10):783-90. doi: . [PMID: 9332760]
  • S G Carmella, A Borukhova, D Desai, S S Hecht. Evidence for endogenous formation of tobacco-specific nitrosamines in rats treated with tobacco alkaloids and sodium nitrite. Carcinogenesis. 1997 Mar; 18(3):587-92. doi: 10.1093/carcin/18.3.587. [PMID: 9067560]
  • F M Lyng, H L de Feijter-Rupp, T Hayashi, K O'Malley, D M Murphy, D C Cottell, J E Trosko, C B Seymour, C Mothersill. Effect of a tobacco-related nitrosamine on intercellular communication in human urothelial cells: a possible factor in smoking-related bladder carcinogenesis. Oncology research. 1996; 8(9):371-8. doi: NULL. [PMID: 8979271]
  • S S Hecht, F L Chung, J P Richie, S A Akerkar, A Borukhova, L Skowronski, S G Carmella. Effects of watercress consumption on metabolism of a tobacco-specific lung carcinogen in smokers. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 1995 Dec; 4(8):877-84. doi: NULL. [PMID: 8634661]
  • S E Murphy, S G Carmella, A M Idris, D Hoffmann. Uptake and metabolism of carcinogenic levels of tobacco-specific nitrosamines by Sudanese snuff dippers. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 1994 Jul; 3(5):423-8. doi: NULL. [PMID: 7920210]
  • S S Hecht, S G Carmella, P G Foiles, S E Murphy. Biomarkers for human uptake and metabolic activation of tobacco-specific nitrosamines. Cancer research. 1994 Apr; 54(7 Suppl):1912s-1917s. doi: NULL. [PMID: 8137311]
  • D Lacroix, M Desrochers, A Castonguay, A Anderson. Metabolism of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) in human kidney epithelial cells transfected with rat CYP2B1 cDNA. Carcinogenesis. 1993 Aug; 14(8):1639-42. doi: 10.1093/carcin/14.8.1639. [PMID: 8353848]