Sedanoic acid (BioDeep_00000872171)

Main id: BioDeep_00000002191

 

PANOMIX_OTCML-2023


代谢物信息卡片


1-Hexanoic acid

化学式: C6H12O2 (116.08372519999999)
中文名称: 正己酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCC(O)=O
InChI: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

描述信息

Hexanoic acid, also known as hexanoate or caproic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, hexanoic acid is considered to be a fatty acid lipid molecule. Hexanoic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Hexanoic acid can be found in a number of food items such as lettuce, squashberry, yellow pond-lily, and cabbage, which makes hexanoic acid a potential biomarker for the consumption of these food products. Hexanoic acid can be found primarily in most biofluids, including cerebrospinal fluid (CSF), saliva, feces, and sweat. Hexanoic acid exists in all living species, ranging from bacteria to humans. In humans, hexanoic acid is involved in a couple of metabolic pathways, which include beta oxidation of very long chain fatty acids and fatty acid biosynthesis. Hexanoic acid is also involved in a couple of metabolic disorders, which include mitochondrial beta-oxidation of short chain saturated fatty acids and short-chain 3-hydroxyacyl-coa dehydrogenase deficiency (SCHAD). Moreover, hexanoic acid is found to be associated with medium Chain Acyl-CoA Dehydrogenase Deficiency. Hexanoic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Hexanoic acid (caproic acid) is the carboxylic acid derived from hexane with the chemical formula CH 3(CH 2) 4COOH. It is a colorless oily liquid with an odor that is fatty, cheesy, waxy, and like that of goats or other barnyard animals. It is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that give the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor. It is also one of the components of vanilla. The primary use of hexanoic acid is in the manufacture of its esters for artificial flavors, and in the manufacture of hexyl derivatives, such as hexylphenols .

同义名列表

2 个代谢物同义名

1-Hexanoic acid; Sedanoic acid



数据库引用编号

2 个数据库交叉引用编号

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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。

Reactome(0)

BioCyc(0)

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INOH(0)

PlantCyc(0)

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0 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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