Chloral hydrate (BioDeep_00000006376)

 

Secondary id: BioDeep_00001867623

human metabolite Chemicals and Drugs Volatile Flavor Compounds natural product


代谢物信息卡片


1,1,1-Trichloro-2,2-dihydroxyethane

化学式: C2H3Cl3O2 (163.91986280000003)
中文名称: 三氯乙醛水合物, 水合氯醛
谱图信息: 最多检出来源 Macaca mulatta(otcml) 1.37%

分子结构信息

SMILES: C(C(Cl)(Cl)Cl)(O)O
InChI: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

描述信息

Chloral hydrate is a sedative and hypnotic drug as well as a chemical reagent and precursor. The name chloral hydrate indicates that it is formed from chloral (trichloroacetaldehyde) by the addition of one molecule of water. Its chemical formula is C2H3Cl3O2. It was discovered through the chlorination of ethanol in 1832 by Justus von Liebig in Gießen. Its sedative properties were first published in 1869 and subsequently, because of its easy synthesis, its use was widespread. (Wikipedia)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CC - Aldehydes and derivatives
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2199 - Adjuvant Analgesic

同义名列表

19 个代谢物同义名

1,1,1-Trichloro-2,2-dihydroxyethane; Trichloroacetaldehyde hydric acid; 2,2,2-trichloroethane-1,1-diol; 2,2,2-Trichloro-1,1-ethanediol; 1,1,1-Trichloro-2,2-ethanediol; Trichloroacetaldehyde hydrate; Trichloracetaldehyd-hydrat; Chloral monohydric acid; Aquachloral supprettes; Chloral hydric acid; Chloral monohydrate; Hydrate, chloral; chloral hydrate; Knockout drops; Chloralhydrat; Somnote; Noctec; Chloral hydrate; Chloral hydrate



数据库引用编号

18 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(3)

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)

9 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

  • Jinfeng Zhao, Shiyu Yan, Xue Ma, Yanqing Song, Yao Pan. Nrf2 regulates the activation of THP-1 cells induced by chloral hydrate. Ecotoxicology and environmental safety. 2023 Mar; 256(?):114841. doi: 10.1016/j.ecoenv.2023.114841. [PMID: 36989555]
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