2-Chlorobenzylidenemalononitrile (BioDeep_00000173774)

   

human metabolite blood metabolite


代谢物信息卡片


2-[(2-chlorophenyl)methylidene]propanedinitrile

化学式: C10H5ClN2 (188.014124)
中文名称: 邻氯亚苄基丙二腈
谱图信息: 最多检出来源 Mus musculus(blood) 47.95%

分子结构信息

SMILES: C1=CC=C(C(=C1)C=C(C#N)C#N)Cl
InChI: InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H

描述信息

同义名列表

23 个代谢物同义名

2-[(2-chlorophenyl)methylidene]propanedinitrile; Malonitrile, ortho-chlorobenzylidene; Ortho chlorobenzylidene malonitrile; Ortho-chlorobenzylidene malonitrile; Ortho-chlorobenzylidenemalonitrile; Ortho chlorobenzylidenemalonitrile; Malonitrile, O-chlorobenzylidene; Malonitrile, 2-chlorobenzylidene; 2-Chlorobenzylidenemalononitrile; Malonotrile, O-chlorobenzylidene; 2 Chlorobenzylidene malonitrile; O-Chlorobenzylidene malonitrile; 2-Chlorobenzylidene malonitrile; O Chlorobenzylidene malonitrile; O Chlorobenzylidene malonotrile; O-Chlorobenzylidene malonotrile; 2 Chlorobenzylidenemalonitrile; O Chlorobenzylidenemalonitrile; 2-Chlorobenzylidenemalonitrile; O-Chlorobenzylidenemalonitrile; Tear gas, CS; CS Tear gas; CS gas



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

  • Maccon A Buchanan, Alex Stubner, Joseph J Hout, Mary Brueggemeyer, William Bragg. Association between exposure to o-chlorobenzylidene malononitrile (CS riot control agent) and urinary metabolite 2-chlorohippuric acid in U.S. Army Mask Confidence Training. Journal of occupational and environmental hygiene. 2017 09; 14(9):712-719. doi: 10.1080/15459624.2017.1316387. [PMID: 28604270]
  • Leo J Schep, R J Slaughter, D I McBride. Riot control agents: the tear gases CN, CS and OC-a medical review. Journal of the Royal Army Medical Corps. 2015 Jun; 161(2):94-9. doi: 10.1136/jramc-2013-000165. [PMID: 24379300]
  • Sadik Toprak, Gokhan Ersoy, John Hart, Peter Clevestig. The pathology of lethal exposure to the Riot Control Agents: towards a forensics-based methodology for determining misuse. Journal of forensic and legal medicine. 2015 Jan; 29(?):36-42. doi: 10.1016/j.jflm.2014.11.006. [PMID: 25572084]
  • James R Riches, Robert W Read, Robin M Black, John M Harrison, Dawn A Shand, Eleanor V Tomsett, Catherine R Newsome, Nicola C Bailey, Neil Roughley, Matthew R Gravett, Sarah J Stubbs, Richard R McColm. The development of an analytical method for urinary metabolites of the riot control agent 2-chlorobenzylidene malononitrile (CS). Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2013 Jun; 928(?):125-30. doi: 10.1016/j.jchromb.2013.03.029. [PMID: 23624235]
  • Gregg M Recer, Thomas B Johnson, A Kevin Gleason. An evaluation of the relative potential public health concern for the self-defense spray active ingredients oleoresin capsicum, o-chlorobenzylidene malononitrile, and 2-chloroacetophenone. Regulatory toxicology and pharmacology : RTP. 2002 Aug; 36(1):1-11. doi: 10.1006/rtph.2002.1569. [PMID: 12383713]
  • Jason Smith, Ian Greaves. The use of chemical incapacitant sprays: a review. The Journal of trauma. 2002 Mar; 52(3):595-600. doi: 10.1097/00005373-200203000-00036. [PMID: 11901348]
  • S Delamanche, P Desforges, S Morio, C Fuche, J H Calvet. Effect of oleoresin capsicum (OC) and ortho-chlorobenzylidene malononitrile (CS) on ciliary beat frequency. Toxicology. 2001 Aug; 165(2-3):79-85. doi: 10.1016/s0300-483x(01)00409-7. [PMID: 11522366]
  • S Debarre, L Karinthi, S Delamanche, C Fuché, P Desforges, J H Calvet. Comparative acute toxicity of o-chlorobenzylidene malononitrile (CS) and oleoresin capsicum (OC) in awake rats. Human & experimental toxicology. 1999 Dec; 18(12):724-30. doi: 10.1191/096032799678839617. [PMID: 10627659]
  • K Brewster, J M Harrison, L Leadbeater, J Newman, D G Upshall. The fate of 2-chlorobenzylidene malononitrile (CS) in rats. Xenobiotica; the fate of foreign compounds in biological systems. 1987 Aug; 17(8):911-24. doi: 10.3109/00498258709044190. [PMID: 3118582]
  • E C Rietveld, M M Hendrikx, F Seutter-Berlage. Glutathione conjugation of chlorobenzylidene malononitriles in vitro and the biotransformation to mercapturic acids in rats. Archives of toxicology. 1986 Dec; 59(4):228-34. doi: 10.1007/bf00290543. [PMID: 3103585]
  • E C Rietveld, L P Delbressine, T H Waegemaekers, F Seutter-Berlage. 2-Chlorobenzylmercapturic acid, a metabolite of the riot control agent 2-chlorobenzylidene malononitrile (CS) in the rat. Archives of toxicology. 1983 Oct; 54(2):139-44. doi: 10.1007/bf01261382. [PMID: 6418119]
  • A von Däniken, U Friederich, W K Lutz, C Schlatter. Tests for mutagenicity in Salmonella and covalent binding to DNA and protein in the rat of the riot control agent o-chlorobenzylidene malononitrile (CS). Archives of toxicology. 1981 Nov; 49(1):15-27. doi: 10.1007/bf00352067. [PMID: 6798951]
  • M Nagarkatti, P S Nagarkatti, C D Raghuveeran. Short-term toxicity studies of O-chlorobenzylidene malononitrile on humoral immunity in mice. Toxicology letters. 1981 Apr; 8(1-2):73-6. doi: 10.1016/0378-4274(81)90141-7. [PMID: 6787744]
  • A R Chowdhury, A K Chatterjee, C D Raghuveeran. Cytochemical changes of adrenal under the acute exposure of O-chloro-benzylidine malononitrile (CS). Mikroskopie. 1979 Sep; 35(7-8):183-9. doi: ". [PMID: 120516]