2,6-Diisocyanatotoluene (BioDeep_00000173601)

   

human metabolite blood metabolite


代谢物信息卡片


Isocyanic acid, 2-methyl-meta-phenylene ester

化学式: C9H6N2O2 (174.04292560000002)
中文名称: 甲苯2,6-二异氰酸酯
谱图信息: 最多检出来源 Homo sapiens(blood) 98.96%

分子结构信息

SMILES: CC1=C(C=CC=C1N=C=O)N=C=O
InChI: InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3

描述信息

同义名列表

20 个代谢物同义名

Isocyanic acid, 2-methyl-meta-phenylene ester; Isocyanate, 2-methyl-meta-phenylene ester; 2,6-Diisocyanatotoluene, conjugate diacid; 2-Methyl-meta-phenylene isocyanic acid; 2,6-Diisocyanatotoluene monoformate; 2-Methyl-meta-phenylene isocyanate; 2-methyl-m-phenylene diisocyanate; 1,3-diisocyanato-2-methylbenzene; 2,6-Diisocyanato-1-methylbenzene; Meta-tolylene diisocyanic acid; 2,6-Toluene diisocyanic acid; m-Tolylene diisocyanic acid; Meta-tolylene diisocyanate; 2,6-Toluene diisocyanate; Toluene 2,6-diisocyanate; 2,6-Toluene-diisocyanate; m-Tolylene diisocyanate; 2,6-Diisocyanatotoluene; 2,6-TDI; TDI



数据库引用编号

7 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

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

  • G De Palma, Ilenia Cortesi, Roberta Ghitti, Denise Festa, R Bergonzi, P Apostoli. Biological monitoring as a valid tool to assess occupational exposure to mixtures of 2,4-:2,6-toluene diisocyanate. La Medicina del lavoro. 2012 Sep; 103(5):361-71. doi: NULL. [PMID: 23077796]
  • Justin M Hettick, Paul D Siegel. Determination of the toluene diisocyanate binding sites on human serum albumin by tandem mass spectrometry. Analytical biochemistry. 2011 Jul; 414(2):232-8. doi: 10.1016/j.ab.2011.03.035. [PMID: 21458408]
  • Lygia T Budnik, Dennis Nowak, Rolf Merget, Catherine Lemiere, Xaver Baur. Elimination kinetics of diisocyanates after specific inhalative challenges in humans: mass spectrometry analysis, as a basis for biomonitoring strategies. Journal of occupational medicine and toxicology (London, England). 2011 Mar; 6(1):9. doi: 10.1186/1745-6673-6-9. [PMID: 21447151]
  • Karin E Broberg, Margareta Warholm, Håkan Tinnerberg, Anna Axmon, Bo A Jönsson, Carl Johan Sennbro, Margareta Littorin, Agneta Rannug. The GSTP1 Ile105 Val polymorphism modifies the metabolism of toluene di-isocyanate. Pharmacogenetics and genomics. 2010 Feb; 20(2):104-11. doi: 10.1097/fpc.0b013e328334fb84. [PMID: 20032816]
  • Hui-Jung Yeh, Wei-Chao Lin, Tung-Sheng Shih, Perng-Jy Tsai, Shan-Tair Wang, Ho-Yuan Chang. Urinary excretion of toluene diisocyanates in rats following dermal exposure. Journal of applied toxicology : JAT. 2008 Mar; 28(2):189-95. doi: 10.1002/jat.1266. [PMID: 17582582]
  • Carl Johan Sennbro, Margareta Littorin, Håkan Tinnerberg, Bo A G Jönsson. Upper reference limits for biomarkers of exposure to aromatic diisocyanates. International archives of occupational and environmental health. 2005 Aug; 78(7):541-6. doi: 10.1007/s00420-005-0619-5. [PMID: 15995877]
  • Carl Johan Sennbro, Christian H Lindh, Håkan Tinnerberg, Cecilia Gustavsson, Margareta Littorin, Hans Welinder, Bo A G Jönsson. Development, validation and characterization of an analytical method for the quantification of hydrolysable urinary metabolites and plasma protein adducts of 2,4- and 2,6-toluene diisocyanate, 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals. 2003 May; 8(3-4):204-17. doi: 10.1080/1354750031000090660. [PMID: 12944173]
  • Joanna M Matheson, Ranulfo Lemus, Robert W Lange, Meryl H Karol, Michael I Luster. Role of tumor necrosis factor in toluene diisocyanate asthma. American journal of respiratory cell and molecular biology. 2002 Oct; 27(4):396-405. doi: 10.1165/rcmb.4614. [PMID: 12356572]
  • Margareta Littorin, Hans Welinder, Gunnar Skarping, Marianne Dalene, Staffan Skerfving. Exposure and nasal inflammation in workers heating polyurethane. International archives of occupational and environmental health. 2002 Sep; 75(7):468-74. doi: 10.1007/s00420-002-0337-1. [PMID: 12172893]
  • Tadashi Sakai, Y Morita, Y Kim, Y X Tao. LC-MS determination of urinary toluenediamine in workers exposed to toluenediisocyanate. Toxicology letters. 2002 Aug; 134(1-3):259-64. doi: 10.1016/s0378-4274(02)00174-1. [PMID: 12191886]
  • K Kääriä, A Hirvonen, H Norppa, P Piirilä, H Vainio, C Rosenberg. Exposure to 2,4- and 2,6-toluene diisocyanate (TDI) during production of flexible foam: determination of airborne TDI and urinary 2,4- and 2,6-toluenediamine (TDA). The Analyst. 2001 Jul; 126(7):1025-31. doi: 10.1039/b102022f. [PMID: 11478630]
  • R N Shiotsuka, D L Warren, A T Halliburton, D W Sturdivant. A comparative respiratory sensitization study of 2,4- and 2,6-toluene diisocyanate using guinea pigs. Inhalation toxicology. 2000 Jul; 12(7):605-15. doi: 10.1080/08958370050030976. [PMID: 10880147]
  • P Lind, M Dalene, V Lindström, A Grubb, G Skarping. Albumin adducts in plasma from workers exposed to toluene diisocyanate. The Analyst. 1997 Feb; 122(2):151-4. doi: 10.1039/a605700d. [PMID: 9124697]
  • P Carbonnelle, S Boukortt, D Lison, J P Buchet. Determination of toluenediamines in urine of workers occupationally exposed to isocyanates by high-performance liquid chromatography. The Analyst. 1996 May; 121(5):663-9. doi: 10.1039/an9962100663. [PMID: 8779450]
  • B W Day, R Jin, M H Karol. In vivo and in vitro reactions of toluene diisocyanate isomers with guinea pig hemoglobin. Chemical research in toxicology. 1996 Apr; 9(3):568-73. doi: 10.1021/tx9501703. [PMID: 8728499]
  • P Lind, M Dalene, G Skarping, L Hagmar. Toxicokinetics of 2,4- and 2,6-toluenediamine in hydrolysed urine and plasma after occupational exposure to 2,4- and 2,6- toluene diisocyanate. Occupational and environmental medicine. 1996 Feb; 53(2):94-9. doi: 10.1136/oem.53.2.94. [PMID: 8777457]
  • G Skarping, M Dalene, P Lind. Determination of toluenediamine isomers by capillary gas chromatography and chemical ionization mass spectrometry with special reference to the biological monitoring of 2,4- and 2,6-toluene diisocyanate. Journal of chromatography. A. 1994 Mar; 663(2):199-210. doi: 10.1016/0021-9673(94)85246-4. [PMID: 8173666]
  • Y Sugawara, Y Okamoto, T Sawahata, K Tanaka. An asthma model developed in the guinea pig by intranasal application of 2,4-toluene diisocyanate. International archives of allergy and immunology. 1993; 101(1):95-101. doi: 10.1159/000236504. [PMID: 7684630]
  • J Huang, K Aoyama, A Ueda. Experimental study on respiratory sensitivity to inhaled toluene diisocyanate. Archives of toxicology. 1993; 67(6):373-8. doi: 10.1007/bf01977397. [PMID: 7692837]
  • A Maître, M Berode, A Perdrix, S Romazini, H Savolainen. Biological monitoring of occupational exposure to toluene diisocyanate. International archives of occupational and environmental health. 1993; 65(2):97-100. doi: 10.1007/bf00405726. [PMID: 8253517]
  • P Nuorteva, T Assmuth, T Haahtela, J Ahti, E Kurvonen, T Nieminen, T Saarainen, K Seppälä, P Veide, S Viholainen. The prevalence of asthma among inhabitants in the vicinity of a polyurethane factory in Finland. Environmental research. 1987 Aug; 43(2):308-16. doi: 10.1016/s0013-9351(87)80031-2. [PMID: 3038509]
  • X Baur. Immunologic cross-reactivity between different albumin-bound isocyanates. The Journal of allergy and clinical immunology. 1983 Feb; 71(2):197-205. doi: 10.1016/0091-6749(83)90100-8. [PMID: 6296214]