3,5-Di-tert-butyl-4-hydroxybenzoic acid (BioDeep_00000169979)
human metabolite
代谢物信息卡片
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
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代谢反应
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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。
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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]