4-Hydroxy-1-(3-pyridinyl)-1-butanone (BioDeep_00000012925)

 

Secondary id: BioDeep_00001869509

human metabolite


代谢物信息卡片


4-hydroxy-1-(pyridin-3-yl)butan-1-one

化学式: C9H11NO2 (165.079)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(lipidsearch) 8.96%

分子结构信息

SMILES: C1=CC(=CN=C1)C(=O)CCCO
InChI: InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2

描述信息

4-Hydroxy-1-(3-pyridinyl)-1-butanone, also known as 4-HPB, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Hydroxy-1-(3-pyridinyl)-1-butanone is considered to be soluble (in water) and relatively neutral

同义名列表

6 个代谢物同义名

4-hydroxy-1-(pyridin-3-yl)butan-1-one; 4-Hydroxy-1-(3-pyridinyl)-1-butanone; 4-Hydroxy-1-(3-pyridyl)-1-butanone; 4-Hydoxy-1-(3-pyridyl)-1-butanone; 4-HPB; 4-Hydroxy-1-(3-pyridinyl)-1-butanone



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)

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。

亚细胞结构定位 关联基因列表


文献列表

  • Daniela Schlöbe, Daniel Hölzle, Dorothea Hatz, Ludwig von Meyer, Anthony R Tricker, Elmar Richter. 4-Hydroxy-1-(3-pyridyl)-1-butanone-releasing DNA adducts in lung, lower esophagus and cardia of sudden death victims. Toxicology. 2008 Mar; 245(1-2):154-61. doi: 10.1016/j.tox.2007.12.021. [PMID: 18243467]
  • Steven R Myers, M Yeakub Ali. Haemoglobin adducts as biomarkers of exposure to tobacco-related nitrosamines. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals. 2008 Mar; 13(2):145-59. doi: 10.1080/13547500701470561. [PMID: 18270868]
  • Wolfgang Zwickenpflug, Stefan Tyroller, Elmar Richter. Metabolism of myosmine in Wistar rats. Drug metabolism and disposition: the biological fate of chemicals. 2005 Nov; 33(11):1648-56. doi: 10.1124/dmd.104.003087. [PMID: 16079272]
  • Gunnar Boysen, Patrick M J Kenney, Pramod Upadhyaya, Mingyao Wang, Stephen S Hecht. Effects of benzyl isothiocyanate and 2-phenethyl isothiocyanate on benzo[a]pyrene and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone metabolism in F-344 rats. Carcinogenesis. 2003 Mar; 24(3):517-25. doi: 10.1093/carcin/24.3.517. [PMID: 12663513]
  • S S Hecht, C B Chen, D Hoffmann. Metabolic beta-hydroxylation and N-oxidation of N'-nitrosonornicotine. Journal of medicinal chemistry. 1980 Nov; 23(11):1175-8. doi: 10.1021/jm00185a005. [PMID: 7452667]