3-tert-Butyl-4-hydroxyanisole (BioDeep_00000017909)

   

human metabolite Industrial Pollutants


代谢物信息卡片


3-(1,1-Dimethylethyl)-4-hydroxyanisole

化学式: C11H16O2 (180.115)
中文名称: 3-叔丁基-4-羟基苯甲醚, 丁基羟基茴香醚(BHA), 2-叔丁基-4-甲氧基苯酚
谱图信息: 最多检出来源 Homo sapiens(urine) 29.21%

分子结构信息

SMILES: CC(C)(C)C1=C(C=CC(=C1)OC)O
InChI: InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3

描述信息

3-tert-Butyl-4-hydroxyanisole (3-BHA), also known as BHA or 4-methoxy-2-tert-butylphenol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. BHA is an extremely weak basic (essentially neutral) compound (based on its pKa). BHA is a waxy solid used as a food additive with the E number E320. BHA is a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHA was detected in human urine (PMID: 31265952).

同义名列表

31 个代谢物同义名

3-(1,1-Dimethylethyl)-4-hydroxyanisole; 2-(1,1-Dimethylethyl)-4-methoxyphenol; (1,1-Dimethylethyl)-4-methoxyphenol; 4-Hydroxy-3-tert-butylanisole; 3-tert-Butyl-4-hydroxyanisole; Tert-butyl-2-methoxy-4-phenol; 3-Tert-butyl-p-hydroxyanisole; p-Methoxy-O-tert-butylphenol; O-Tert-butyl-p-methoxyphenol; 2-Tert-butyl-p-methoxyphenol; 4-Methoxy-6-tert-butylphenol; 2-tert-Butyl-4-methoxyphenol; 4-Methoxy-2-tert-butylphenol; Hydroxyanisole, butylated; Butylated hydroxyanisole; Methoxyphenol, butyl; Butylhydroxyanisole; Butyl methoxyphenol; Nipantiox 1-F; Nipantiox 1 F; Nipantiox 1F; Tenox bha; AMIF 72; AMIF-72; Embanox; AMIF72; 3-BHA; BHA; BHA; Butylated hydroxyanisole; 2-tert-Butyl-4-methoxyphenol



数据库引用编号

14 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)

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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。

亚细胞结构定位 关联基因列表


文献列表

  • Xiaoyun Wang, Zhendong Sun, Yurou Gao, Qian S Liu, Xiaoxi Yang, Jiefeng Liang, Jing Ren, Zhihua Ren, Qunfang Zhou, Guibin Jiang. 3-tert-Butyl-4-hydroxyanisole perturbs renal lipid metabolism in vitro by targeting androgen receptor-regulated de novo lipogenesis. Ecotoxicology and environmental safety. 2023 Jun; 258(?):114979. doi: 10.1016/j.ecoenv.2023.114979. [PMID: 37150107]
  • Zhendong Sun, Zhi Tang, Xiaoxi Yang, Qian S Liu, Jianqing Zhang, Qunfang Zhou, Guibin Jiang. 3-tert-Butyl-4-hydroxyanisole Impairs Hepatic Lipid Metabolism in Male Mice Fed with a High-Fat Diet. Environmental science & technology. 2022 03; 56(5):3204-3213. doi: 10.1021/acs.est.1c07182. [PMID: 35133139]
  • Zhendong Sun, Zhi Tang, Xiaoxi Yang, Qian S Liu, Yong Liang, Heidelore Fiedler, Jianqing Zhang, Qunfang Zhou, Guibin Jiang. Perturbation of 3-tert-butyl-4-hydroxyanisole in adipogenesis of male mice with normal and high fat diets. The Science of the total environment. 2020 Feb; 703(?):135608. doi: 10.1016/j.scitotenv.2019.135608. [PMID: 31767314]
  • Zhendong Sun, Xiaoxi Yang, Qian S Liu, Chuanhai Li, Qunfang Zhou, Heidelore Fiedler, Chunyang Liao, Jianqing Zhang, Guibin Jiang. Butylated hydroxyanisole isomers induce distinct adipogenesis in 3T3-L1 cells. Journal of hazardous materials. 2019 11; 379(?):120794. doi: 10.1016/j.jhazmat.2019.120794. [PMID: 31238218]
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