5-Methyl-2-hexanone (BioDeep_00000025736)

   

human metabolite Endogenous


代谢物信息卡片


Methyl isopentyl ketone

化学式: C7H14O (114.1045)
中文名称: 5-甲基-2-己酮
谱图信息: 最多检出来源 not specific(feces) 25%

分子结构信息

SMILES: CC(=O)CCC(C)C
InChI: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

描述信息

5-Methyl-2-hexanone, also known as methyl isoamyl ketone or MIAK, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. 5-Methyl-2-hexanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 5-methyl-2-hexanone is considered to be an oxygenated hydrocarbon lipid molecule. 5-Methyl-2-hexanone has been detected, but not quantified, in a few different foods, such as eggs, fruits, and tea. This could make 5-methyl-2-hexanone a potential biomarker for the consumption of these foods.
Volatile component in fruit pulp of papaya (Carica papaya), black tea aroma and in cooked beef and egg aroma. 5-Methyl-2-hexanone is found in many foods, some of which are eggs, animal foods, fruits, and tea.

同义名列表

13 个代谢物同义名

Methyl isopentyl ketone; Isopentyl methyl ketone; Ketone, methyl isoamyl; Methyl isoamyl ketone; Isoamyl methyl ketone; 2-Hexanone-5-methyl; 5-METHYL-2-HEXANONE; (CH3)2chch2ch2coch3; 2-Methyl-5-hexanone; 5-Methylhexan-2-one; Isobutylacetone; MIAK; 5-Methyl-2-hexanone



数据库引用编号

10 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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BioCyc(0)

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Plant Reactome(0)

INOH(0)

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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。

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亚细胞结构定位 关联基因列表


文献列表

  • G V Katz, E R Renner, C J Terhaar. Subchronic inhalation toxicity of methyl isoamyl ketone in rats. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1986 Apr; 6(3):498-505. doi: 10.1016/0272-0590(86)90223-x. [PMID: 3699333]