3-Phenylbutyric acid (BioDeep_00000026803)

 

Secondary id: BioDeep_00000405489

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


beta-Methylbenzenepropanoic acid

化学式: C10H12O2 (164.0837252)
中文名称: (/-)-3-苯基丁酸, 3-苯基丁酸
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.33%

分子结构信息

SMILES: CC(CC(=O)O)C1=CC=CC=C1
InChI: InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)

描述信息

3-Phenylbutyric acid, also known as 3-phenylbutyrate or (RS)-3-phenylbutanoate, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Adverse effects Nearly 1/4 women may experience an adverse effect of amenorrhea or menstrual dysfunction. Sodium phenylbutyrate can act as a chemical chaperone, stabilising the mutant CFTR in the endoplasmic reticulum and allowing it to reach the cell surface. A 5g tablet or powder of sodium phenylbutyrate taken by mouth can be detected in the blood within 15 minutes, and reaches peak concentration in the bloodstream within an hour.
Phenylbutyric acid is a metabolite occasionally isolated from biological samples (PMID 11043786; 6511847), and it is speculated that this is due to a pitfall in quantitative urinary organic acid analysis originated in the irreproducible adsorption to glass as a major cause of errors. (PMID 10384390) [HMDB]
3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil[1][2].

同义名列表

27 个代谢物同义名

beta-Methylbenzenepropanoic acid; beta-Methylhydrocinnamic acid; b-Methylbenzenepropanoic acid; beta-Methylbenzenepropanoate; b-Methylhydrocinnamic acid; (RS)-3-Phenylbutanoic acid; beta-Phenyl-N-butyric acid; beta-Methylhydrocinnamate; b-Methylbenzenepropanoate; beta-Phenylbutyric acid; b-Phenyl-N-butyric acid; b-Methylhydrocinnamate; beta-Phenyl-N-butyrate; (RS)-3-Phenylbutanoate; 3-Phenylbutanoic acid; 3-Phenylbutyric acid; 3-Phenylbutiric acid; β-phenylbutyric acid; b-Phenylbutyric acid; b-Phenyl-N-butyrate; beta-Phenylbutyrate; 3-Phenylbutanoate; b-Phenylbutyrate; 3-Phenylbutirate; 3-Phenylbutyrate; 3-PB; 3-Phenylbutyric acid



数据库引用编号

12 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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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。

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

  • A A van Landeghem, Y T Somers-Pijnenburg, W J Somers, C Stokwielder, W de Bruyn, G B van den Berg. Adsorption of small hydroxy acids on glass: a pitfall in quantitative urinary organic acid analysis by GC-MS. Journal of inherited metabolic disease. 1999 May; 22(3):293-6. doi: 10.1023/a:1005527315019. [PMID: 10384390]
  • P D Ross, M V Rekharsky. Thermodynamics of hydrogen bond and hydrophobic interactions in cyclodextrin complexes. Biophysical journal. 1996 Oct; 71(4):2144-54. doi: 10.1016/s0006-3495(96)79415-8. [PMID: 8889190]
  • K G Moorhouse, P F Dodds, D H Hutson. Xenobiotic triacylglycerol formation in isolated hepatocytes. Biochemical pharmacology. 1991 Apr; 41(8):1179-85. doi: 10.1016/0006-2952(91)90656-p. [PMID: 2009094]