O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate (BioDeep_00000184627)
human metabolite blood metabolite
代谢物信息卡片
化学式: C11H26NO2PS (267.1422)
中文名称:
谱图信息:
最多检出来源 Mus musculus(not specific) 1.1%
分子结构信息
SMILES: CCOP(C)(=O)SCCN(C(C)C)C(C)C
InChI: InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3
描述信息
VX nerve agent, also known as VX, belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. Based on a literature review a significant number of articles have been published on VX nerve agent. This compound has been identified in human blood as reported by (PMID: 31557052 ). O-ethyl s-(2-diisopropylaminoethyl) methylphosphonothioate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
VX is an extremely toxic synthetic chemical compound in the organophosphorus class, specifically, a thiophosphonate. In the class of nerve agents, it was developed for military use in chemical warfare after translation of earlier discoveries of organophosphate toxicity in pesticide research. In its pure form, VX is an oily, relatively non-volatile liquid that is amber-like in colour.[4] Because of its low volatility, VX persists in environments where it is dispersed.[5][6]
VX, short for "venomous agent X",[7] is one of the best known of the V nerve agents and originated from pesticide development work at Imperial Chemical Industries (ICI). It was developed further at Porton Down in England during the early 1950s,[8] based on research first done by Gerhard Schrader, a chemist working for IG Farben in Germany during the 1930s.[citation needed] It is now one of a broader V-series of agents which are classified as nerve agents. VX has been allegedly used in warfare and has been used in several assassinations. The brother of North Korean leader Kim Jong Un, Kim Jong Nam, had the substance thrown in his face in Kuala Lumpur International Airport on the 13th February 2017 by two women. He died being rushed to hospital approximately 15 minutes later.
The substance is extremely deadly; VX fatalities occur with exposure to tens of milligram quantities via inhalation or absorption through skin; VX is more potent than sarin, another nerve agent with a similar mechanism of action. On such exposure, these agents severely disrupt the body's signaling between the nervous and muscular systems, leading to a prolonged neuromuscular blockade, flaccid paralysis of all the muscles in the body including the diaphragm, and death by asphyxiation.[9]
The danger of VX, in particular, lies in direct exposure to the chemical agent persisting where it was dispersed, and not through its evaporating and being distributed as a vapor; it is not considered a vapor hazard due to its relative non-volatility. VX is considered an area denial weapon due to these physical and biochemical characteristics.[10] As a chemical weapon, it is categorized as a weapon of mass destruction by the United Nations and is banned by the Chemical Weapons Convention of 1993,[11] where production and stockpiling of VX exceeding 100 grams (3.53 oz) per year is outlawed. The only exception is for "research, medical or pharmaceutical purposes outside a single small-scale facility in aggregate quantities not exceeding 10 kg (22 lb) per year per facility".[12]
同义名列表
21 个代谢物同义名
Methylphosphonothioic acid S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester; Ethyl ((2-(bis(propan-2-yl)amino)ethyl)sulfanyl)(methyl)phosphinate; ethyl ({2-[bis(propan-2-yl)amino]ethyl}sulfanyl)(methyl)phosphinate; S-(2-Diisopropylaminoethyl) O-ethyl methyl phosphonothiolic acid; O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioic acid; S-(2-Diisopropylaminoethyl) O-ethyl methyl phosphonothiolate; Ethyl S-2-diisopropylaminoethyl methylphosphonothiolic acid; O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate; O-Ethyl S-(2-diisopropylaminoethyl)methylphosphonothioate; Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate; Ethyl-S-diisopropylaminoethyl methylthiophosphonic acid; S-(2-Diisopropylaminoethyl)ethylmethylphosphonothioate; Ethyl-S-diisopropylaminoethyl methylthiophosphonate; S-2-Diisopropylaminoethyl methyl phosphonothiolate; O-Ethyl-S-[2-(N,N-diisopropylamino)ethyl] ester; Methylphosphonothioate; VX (nerve agent); Agent VX; Tx 60; EDIM; VX
数据库引用编号
分类词条
相关代谢途径
Reactome()
BioCyc()
PlantCyc()
代谢反应
个相关的代谢反应过程信息。
Reactome()
BioCyc()
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Plant Reactome()
INOH()
PlantCyc()
COVID-19 Disease Map()
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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。
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