4-Hydroxy-4-(3-pyridyl)-butanoic acid (BioDeep_00000012932)

 

Secondary id: BioDeep_00001869357

human metabolite Endogenous Volatile Flavor Compounds


代谢物信息卡片


gamma-(3-Pyridyl)-gamma-hydroxybutyric acid

化学式: C9H11NO3 (181.0738896)
中文名称:
谱图信息: 最多检出来源 Macaca mulatta(otcml) 0.11%

分子结构信息

SMILES: C1=CC(=CN=C1)C(CCC(=O)O)O
InChI: InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)

描述信息

4-Hydroxy-4-(3-pyridyl)-butanoic acid is a nitrosonornicotine metabolite derived from tobacco smoke. (PMID: 796709). This nicotine-related compound was separated by HPLC as a cotinine metabolite in human urine and an urinary metabolites of (methylnitrosamino)(pyridyl)butanone in rats. (MID: 10362230).
4-Hydroxy-4-(3-pyridyl)-butanoic acid is a nitrosonornicotine metabolite derived from tobacco smoke. (PMID: 796709)

同义名列表

16 个代谢物同义名

gamma-(3-Pyridyl)-gamma-hydroxybutyric acid; gamma-(3-Pyridyl)-gamma-hydroxybutyrate; 4-hydroxy-4-(pyridin-3-yl)butanoic acid; 4-hydroxy-4-(3-pyridyl)-butanoic acid; gamma-Hydroxy-3-pyridinebutanoic acid; 4-Hydroxy-4-(3-pyridyl)butanoic acid; 4-Hydroxy-4-(3-pyridyl)butyric acid; 4-(3-Pyridyl)-4-hydroxybutyric acid; Γ-hydroxy-3-pyridinebutanoic acid; 4-Hydroxy-4-(3-pyridyl)-butanoate; g-Hydroxy-3-pyridinebutanoic acid; 4-(3-Pyridyl)-4-hydroxybutyrate; Γ-hydroxy-3-pyridinebutanoate; g-Hydroxy-3-pyridinebutanoate; 4-HOPC4a; gamma-Hydroxy-3-pyridinebutanoate



数据库引用编号

11 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

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)

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

  • Meng Jing, Yaohua Wang, Pramod Upadhyaya, Vipin Jain, Jian-Min Yuan, Dorothy K Hatsukami, Stephen S Hecht, Irina Stepanov. Liquid chromatography-electrospray ionization-tandem mass spectrometry quantitation of urinary [pyridine-D4]4-hydroxy-4-(3-pyridyl)butanoic acid, a biomarker of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone metabolic activation in smokers. Chemical research in toxicology. 2014 Sep; 27(9):1547-55. doi: 10.1021/tx5001915. [PMID: 25098652]
  • Kannan Rangiah, Wei-Ting Hwang, Clementina Mesaros, Anil Vachani, Ian A Blair. Nicotine exposure and metabolizer phenotypes from analysis of urinary nicotine and its 15 metabolites by LC-MS. Bioanalysis. 2011 Apr; 3(7):745-61. doi: 10.4155/bio.11.42. [PMID: 21452992]
  • Irina Stepanov, Pramod Upadhyaya, Steven G Carmella, Rachel Feuer, Joni Jensen, Dorothy K Hatsukami, Stephen S Hecht. Extensive metabolic activation of the tobacco-specific carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in smokers. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 2008 Jul; 17(7):1764-73. doi: 10.1158/1055-9965.epi-07-2844. [PMID: 18628430]
  • Stefan Tyroller, Wolfgang Zwickenpflug, Charlotte Thalheim, Elmar Richter. Acute and subacute effects of tobacco alkaloids, tobacco-specific nitrosamines and phenethyl isothiocyanate on N'-nitrosonornicotine metabolism in rats. Toxicology. 2005 Nov; 215(3):245-53. doi: 10.1016/j.tox.2005.07.011. [PMID: 16118032]
  • Pramod Upadhyaya, Cheryl L Zimmerman, Stephen S Hecht. Metabolism and pharmacokinetics of N'-nitrosonornicotine in the patas monkey. Drug metabolism and disposition: the biological fate of chemicals. 2002 Oct; 30(10):1115-22. doi: 10.1124/dmd.30.10.1115. [PMID: 12228188]
  • B G Brown, E Richter, A R Tricker, P H Ayres, D J Doolittle. The effect of a 2-h exposure to cigarette smoke on the metabolic activation of the tobacco-specific nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in A/J mice. Chemico-biological interactions. 2001 Nov; 138(2):125-35. doi: 10.1016/s0009-2797(01)00265-4. [PMID: 11672696]
  • N Trushin, S S Hecht. Stereoselective metabolism of nicotine and tobacco-specific N-nitrosamines to 4-hydroxy-4-(3-pyridyl)butanoic acid in rats. Chemical research in toxicology. 1999 Feb; 12(2):164-71. doi: 10.1021/tx980213q. [PMID: 10027794]
  • . . . . doi: . [PMID: 10027795]