3,5-Di-tert-butyl-4-hydroxybenzoic acid (BioDeep_00000169979)

   

human metabolite Industrial Pollutants Volatile Flavor Compounds


代谢物信息卡片


3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid

化学式: C15H22O3 (250.1568862)
中文名称: 3,5-二叔丁基-4-羟基苯甲酸
谱图信息: 最多检出来源 Homo sapiens(urine) 16.67%

分子结构信息

SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)O
InChI: InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

描述信息

3,5-Di-tert-butyl-4-hydroxybenzoic acid, also known as BHT-COOH or 4-carboxy-2,6-di-tert-butylphenol, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. BHT-COOH is a metabolite of 2,6-di-tert-butyl-4-methylphenol (BHA), 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. BHT-OH was detected in human urine (PMID: 31265952).
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens

同义名列表

9 个代谢物同义名

3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid; 3,5-Di-tert-butyl-4-hydroxybenzoic acid; 4-Hydroxy-3,5-di-tert-butylbenzoic acid; 3,5-Di-tert-butyl-4-hydroxybenzoate; 2,6-Di-tert-butyl-4-carboxyphenol; 4-Carboxy-2,6-di-tert-butylphenol; BHT-COOH; BHT-COOH; 3,5-Di-tert-butyl-4-hydroxybenzoic acid



数据库引用编号

5 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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1 个相关的物种来源信息

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文献列表

  • Qian-Qian Chen, Lei You, Peng-Wei Guan, Cheng-Nan Fang, Wang-Shu Qin, Xin-Yu Liu, Guo-Wang Xu. [Risk analysis of serum chemical residues for metabolic associated fatty liver disease based on exposome-lipidome wide association study]. Se pu = Chinese journal of chromatography. 2024 Feb; 42(2):164-175. doi: 10.3724/sp.j.1123.2023.12014. [PMID: 38374597]
  • Panagiotis Theodosis-Nobelos, Chrysoula Athanasekou, Eleni A Rekka. Dual antioxidant structures with potent anti-inflammatory, hypolipidemic and cytoprotective properties. Bioorganic & medicinal chemistry letters. 2017 11; 27(21):4800-4804. doi: 10.1016/j.bmcl.2017.09.054. [PMID: 29017787]
  • Eleni Ladopoulou, Alexios N Matralis, Angeliki P Kourounakis. New multifunctional Di-tert-butylphenoloctahydro(pyrido/benz)oxazine derivatives with antioxidant, antihyperlipidemic, and antidiabetic action. Journal of medicinal chemistry. 2013 Apr; 56(8):3330-8. doi: 10.1021/jm400101e. [PMID: 23581491]
  • Karyophyllis C Tsiakitzis, Eleni A Rekka, Angeliki P Kourounakis, Panos N Kourounakis. Novel compounds designed as antistress agents. Journal of medicinal chemistry. 2009 Nov; 52(22):7315-8. doi: 10.1021/jm901169b. [PMID: 19863055]
  • T Suzuki, Y Nakagawa, K Tayama, K Yaguchi, T Suga. Toxicity and effects of 2,6-di-tert-butyl-4-methylphenyl N-methylcarbamate (terbutol) on hepatic cytochrome P450 in F344 rats. Archives of toxicology. 2001 Nov; 75(9):555-61. doi: 10.1007/s002040100254. [PMID: 11760817]
  • K Yamamoto, K Tajima, M Takemura, T Mizutani. Further metabolism of 3,5-di-tert-butyl-4-hydroxybenzoic acid, a major metabolite of butylated hydroxytoluene, in rats. Chemical & pharmaceutical bulletin. 1991 Feb; 39(2):512-4. doi: 10.1248/cpb.39.512. [PMID: 2054880]
  • H Verhagen, H H Beckers, P A Comuth, L M Maas, F ten Hoor, P T Henderson, J C Kleinjans. Disposition of single oral doses of butylated hydroxytoluene in man and rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 1989 Dec; 27(12):765-72. doi: 10.1016/0278-6915(89)90105-1. [PMID: 2606406]