Isobutanol (BioDeep_00000004229)

 

Secondary id: BioDeep_00000629760

human metabolite Endogenous Volatile Flavor Compounds


代谢物信息卡片


Isobutyl alcohol, titanium (+4) salt

化学式: C4H10O (74.073161)
中文名称: 乙醇中异丁醇, 异丁醇
谱图信息: 最多检出来源 Homo sapiens(feces) 35.93%

分子结构信息

SMILES: CC(C)CO
InChI: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

描述信息

Isobutanol is an aliphatic alcohol. Isobutanol is a colorless, flammable, organic compound with a characteristic smell. Isobutanol is widely used in industry, as a solvent in chemical reactions, as well as being a useful starting material for organic synthesis. Isobutanol is a flammable liquid that should be stored and used in well-ventilated areas. It is moderately irritating to the skin and greatly irritating to the eyes, mucous membranes and respiratory tract. Exposure to high concentrations of its vapour can cause temporary narcosis. Isobutanol is occasionally found as a volatile component of urine and arises from gut microbial metabolism. Isobutanol is used as one of the markers to measure occupational exposure to a mixture of solvents. Aliphatic alcohols levels increase in both diabetes mellitus and insulin-dependent diabetes patients. (PMID:5556886, 2477620, 9143482, 7627316, 2288731). Isobutanol is a microbial metabolite found in Clostridium, Cupriavidus, Escherichia, Geobacillus, Saccharomyces and Synechococcus (PMID:19946322).
Present in fusel oil, wines and spirits and produced by fermentation of carbohydrates. It is used in the manuf. of flavouring essences. 2-Methyl-1-propanol is found in many foods, some of which are white mustard, chinese cabbage, pummelo, and parsley.

同义名列表

28 个代谢物同义名

Isobutyl alcohol, titanium (+4) salt; Isobutyl alcohol, aluminum salt; Isobutyl alcohol, sodium salt; 2-Methyl-1-propanyl alcohol; 1-Hydroxymethylpropane; 2-Methylpropyl alcohol; Alcool isobutylique; 2-methyl-1-propanol; Methyl-2 propanol-1; 2-Methylpropan-1-ol; 2-Methylpropanol-1; Isopropyl carbitol; 2-Methyl propanol; Isopropylcarbinol; Iso-butyl alcohol; 2-Methylpropanol; 2-MethylpropanoI; Isobutyl alcohol; Isobutylalkohol; I-butyl alcohol; 1-isobutanol; Isobutanol; Iso-C4H9OH; I-butanol; FOH 4:0; IBA; Isobutyl alcohol; Isobutanol



数据库引用编号

20 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(4)

PlantCyc(0)

代谢反应

13 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(12)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(1)

  • Valine Degradation: L-Valine + Oxoglutaric acid ⟶ -Ketoisovaleric acid + L-Glutamic acid

PharmGKB(0)

23 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

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