4-Amino-2,6-dinitrotoluene (BioDeep_00000011158)

 

Secondary id: BioDeep_00001871806

human metabolite blood metabolite


代谢物信息卡片


4-Amino-1-methyl-2,6-dinitrobenzene

化学式: C7H7N3O4 (197.0437)
中文名称: 4-氨基-2,6-二硝基甲苯
谱图信息: 最多检出来源 Homo sapiens(blood) 52.62%

分子结构信息

SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]
InChI: InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3

描述信息

同义名列表

11 个代谢物同义名

4-Amino-1-methyl-2,6-dinitrobenzene; 4-Methyl-3,5-dinitrobenzenamine; 4-Methyl-3,5-dinitrophenylamine; 4-Methyl-3,5-dinitroaniline; 3,5-Dinitro-4-methylaniline; 4-Amino-2,6-dinitrotoluene; 2,6-Dinitro-4-aminotoluene; 3,5-Dinitro-p-toluidine; NSC 25010; 4-ADNT; 4-Amino-2,6-dinitrotoluene



数据库引用编号

14 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

7 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(6)

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

  • Espen Mariussen, Siv Marie Stornes, Kari Oline Bøifot, Bjørn Olav Rosseland, Brit Salbu, Lene Sørlie Heier. Uptake and effects of 2, 4, 6 - trinitrotoluene (TNT) in juvenile Atlantic salmon (Salmo salar). Aquatic toxicology (Amsterdam, Netherlands). 2018 Jan; 194(?):176-184. doi: 10.1016/j.aquatox.2017.11.016. [PMID: 29197231]
  • Michael J Quinn, Terry L Hanna, Alicia A Shiflett, Craig A McFarland, Michelle E Cook, Mark S Johnson, Kurt A Gust, Edward J Perkins. Interspecific effects of 4A-DNT (4-amino-2,6-dinitrotoluene) and RDX (1,3,5-trinitro-1,3,5-triazine) in Japanese quail, Northern bobwhite, and Zebra finch. Ecotoxicology (London, England). 2013 Mar; 22(2):231-9. doi: 10.1007/s10646-012-1019-8. [PMID: 23161369]
  • E Nehrenheim, O Muter, M Odlare, A Rodriguez, G Cepurnieks, V Bartkevics. Toxicity assessment and biodegradation potential of water-soluble sludge containing 2,4,6-trinitrotoluene. Water science and technology : a journal of the International Association on Water Pollution Research. 2013; 68(8):1707-14. doi: 10.2166/wst.2013.416. [PMID: 24185050]
  • Youping Deng, Sharon A Meyer, Xin Guan, Barbara Lynn Escalon, Junmei Ai, Mitchell S Wilbanks, Ruth Welti, Natàlia Garcia-Reyero, Edward J Perkins. Analysis of common and specific mechanisms of liver function affected by nitrotoluene compounds. PloS one. 2011 Feb; 6(2):e14662. doi: 10.1371/journal.pone.0014662. [PMID: 21346803]
  • Juan F Garcia-Reyes, Jason D Harper, Gary A Salazar, Nicholas A Charipar, Zheng Ouyang, R Graham Cooks. Detection of explosives and related compounds by low-temperature plasma ambient ionization mass spectrometry. Analytical chemistry. 2011 Feb; 83(3):1084-92. doi: 10.1021/ac1029117. [PMID: 21174437]
  • Insook Lee, Kyunghwa Baek, Hyunhee Kim, Sunghyun Kim, Jaisoo Kim, Youngseok Kwon, Yoontoung Chang, Bumhan Bae. Phytoremediation of soil co-contaminated with heavy metals and TNT using four plant species. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering. 2007 Nov; 42(13):2039-45. doi: 10.1080/10934520701629781. [PMID: 17990167]
  • Hermann M Bolt, Gisela H Degen, Susanne B Dorn, Sabine Plöttner, Volker Harth. Genotoxicity and potential carcinogenicity of 2,4,6-TNT trinitrotoluene: structural and toxicological considerations. Reviews on environmental health. 2006 Oct; 21(4):217-28. doi: 10.1515/reveh.2006.21.4.217. [PMID: 17243348]
  • Christopher F Hoehamer, N Lee Wolfe, Karl Erik L Eriksson. Biotransformation of 2,4,6-trinitrotoluene (TNT) by the fungus Fusarium oxysporum. International journal of phytoremediation. 2006; 8(2):95-105. doi: 10.1080/15226510600678423. [PMID: 16924959]
  • Christopher F Hoehamer, N Lee Wolfe, Karl Erik L Eriksson. Differences in the biotransformation of 2,4,6-trinitrotoluene (TNT) between wild and axenically grown isolates of Myriophyllum aquaticum. International journal of phytoremediation. 2006; 8(2):107-15. doi: 10.1080/15226510600678431. [PMID: 16924960]
  • A Nepovim, A Hebner, P Soudek, A Gerth, H Thomas, S Smrcek, T Vanek. Degradation of 2,4,6-trinitrotoluene by selected helophytes. Chemosphere. 2005 Sep; 60(10):1454-61. doi: 10.1016/j.chemosphere.2005.01.073. [PMID: 16054915]
  • Mami Kurumata, Misa Takahashi, Atsushi Sakamotoa, Juan L Ramos, Ales Nepovim, Tomas Vanek, Toshifumi Hirata, Hiromichi Morikawa. Tolerance to, and uptake and degradation of 2,4,6-trinitrotoluene (TNT) are enhanced by the expression of a bacterial nitroreductase gene in Arabidopsis thaliana. Zeitschrift fur Naturforschung. C, Journal of biosciences. 2005 Mar; 60(3-4):272-8. doi: 10.1515/znc-2005-3-412. [PMID: 15948595]
  • Viktor Vorísek, Milan Pour, Karel Ubik, Valerie Hassmanová, Eva Korolová, Lukás Cerveny, Jirí Kunes, Vladimír Palicka. Analytical monitoring of trinitrotoluene metabolites in urine by GC-MS. Part I. Semiquantitative determination of 4-amino-2,6-dinitrotoluene in human urine. Journal of analytical toxicology. 2005 Jan; 29(1):62-5. doi: 10.1093/jat/29.1.62. [PMID: 15808016]
  • Ales Nepovím, Radka Podlipná, Petr Soudek, Peter Schröder, Tomás Vanek. Effects of heavy metals and nitroaromatic compounds on horseradish glutathione S-transferase and peroxidase. Chemosphere. 2004 Nov; 57(8):1007-15. doi: 10.1016/j.chemosphere.2004.08.030. [PMID: 15488591]
  • Victor F Medina, Steven L Larson, Lovell Agwaramgbo, Waleska Perez, Lynn Escalon. Treatment of trinitrotoluene by crude plant extracts. Chemosphere. 2004 May; 55(5):725-32. doi: 10.1016/j.chemosphere.2003.12.014. [PMID: 15013677]
  • Chuanyue Wang, Delina Y Lyon, Joseph B Hughes, George N Bennett. Role of hydroxylamine intermediates in the phytotransformation of 2,4,6-trinitrotoluene by Myriophyllum aquaticum. Environmental science & technology. 2003 Aug; 37(16):3595-600. doi: 10.1021/es030010a. [PMID: 12953871]
  • S Letzel, Th Göen, M Bader, J Angerer, T Kraus. Exposure to nitroaromatic explosives and health effects during disposal of military waste. Occupational and environmental medicine. 2003 Jul; 60(7):483-8. doi: 10.1136/oem.60.7.483. [PMID: 12819281]
  • Tobias Weiss, Jürgen Angerer. Simultaneous determination of various aromatic amines and metabolites of aromatic nitro compounds in urine for low level exposure using gas chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2002 Oct; 778(1-2):179-92. doi: 10.1016/s0378-4347(01)00542-4. [PMID: 12376125]
  • Zhongde Zhu, Zhilan Li, Fatai Mi, Suqin Lian, Pengcheng Dong, Yuhua Wu, Xiaohua Sun. [Study on the relationship between the opacity of lens and the levels of 2, 6-dinitro-4-amino-toluene (DNAT) in the urine of workers exposed to trinitrotoluene(TNT)]. Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases. 2002 Feb; 20(1):42-3. doi: NULL. [PMID: 14694615]
  • Tobias Frische. Screening for soil toxicity and mutagenicity using luminescent bacteria--a case study of the explosive 2,4,6-trinitrotoluene (TNT). Ecotoxicology and environmental safety. 2002 Feb; 51(2):133-44. doi: 10.1006/eesa.2001.2124. [PMID: 11886187]
  • M A Moteleb, M T Suidan, J Kim, J L Davel, N R Adrian. Anaerobic degradation of 2,4,6-trinitrotoluene in granular activated carbon fluidized bed and batch reactors. Water science and technology : a journal of the International Association on Water Pollution Research. 2001; 43(1):67-75. doi: . [PMID: 11379114]
  • M Bader, T Göen, J Müller, J Angerer. Analysis of nitroaromatic compounds in urine by gas chromatography-mass spectrometry for the biological monitoring of explosives. Journal of chromatography. B, Biomedical sciences and applications. 1998 Jun; 710(1-2):91-9. doi: 10.1016/s0378-4347(98)00138-8. [PMID: 9686875]
  • J L Martin, S D Comfort, P J Shea, T A Kokjohn, R A Drijber. Denitration of 2,4,6-trinitrotoluene by Pseudomonas savastanoi. Canadian journal of microbiology. 1997 May; 43(5):447-55. doi: 10.1139/m97-063. [PMID: 9198535]
  • L Pucik, J Hughes. Capillary electrophoretic separation of TNT and its transformation products. Journal of capillary electrophoresis. 1996 Jul; 3(4):209-13. doi: ". [PMID: 9384739]
  • G Ahlborg, P Einistö, M Sorsa. Mutagenic activity and metabolites in the urine of workers exposed to trinitrotoluene (TNT). British journal of industrial medicine. 1988 May; 45(5):353-8. doi: 10.1136/oem.45.5.353. [PMID: 3378017]
  • B H Woollen, M G Hall, R Craig, G T Steel. Trinitrotoluene: assessment of occupational absorption during manufacture of explosives. British journal of industrial medicine. 1986 Jul; 43(7):465-73. doi: 10.1136/oem.43.7.465. [PMID: 3718894]
  • J Yinon, D G Hwang. Identification of urinary metabolites of 2,4,6-trinitrotoluene in rats by liquid chromatography-mass spectometry. Toxicology letters. 1985 Aug; 26(2-3):205-9. doi: 10.1016/0378-4274(85)90168-7. [PMID: 3839946]
  • J ROUBAL, J ZDRAZIL, F PICHA. [Polarographic determination of 2,4,6-trinitrotoluene in the air and of 2,6-dinitro-4-aminotoluene in urine]. Ceskoslovenska epidemiologie, mikrobiologie, imunologie. 1953 Aug; 2(4):300-3. doi: NULL. [PMID: 13209657]