2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone (BioDeep_00000117136)

   

human metabolite


代谢物信息卡片


2,6-Bis(1,1-dimethylethyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one

化学式: C15H24O2 (236.1776204)
中文名称: 2,6-二(叔丁基)-4-羟基-4-甲基-2,5-环己烯-1-酮
谱图信息: 最多检出来源 Homo sapiens(urine) 11.11%

分子结构信息

SMILES: CC(C)(C)C1=CC(C)(O)C=C(C1=O)C(C)(C)C
InChI: InChI=1S/C15H24O2/c1-13(2,3)10-8-15(7,17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3

描述信息

2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone, also known as BHT-quinol, belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. BHT-quinol 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-quinol was detected in human urine (PMID: 31265952).

同义名列表

9 个代谢物同义名

2,6-Bis(1,1-dimethylethyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,6-Di-tert-butyl-4-methyl-4-hydroxy-2,5-cyclohexadien-1-one; 2,6-di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one; 2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one; 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone; 4-Hydroxy-4-methyl-2,6-di-tert-butyl-2,5-cyclohexadienone; BHT-quinol



数据库引用编号

4 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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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。

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文献列表

  • Runzeng Liu, Shanjun Song, Yongfeng Lin, Ting Ruan, Guibin Jiang. Occurrence of synthetic phenolic antioxidants and major metabolites in municipal sewage sludge in China. Environmental science & technology. 2015 Feb; 49(4):2073-80. doi: 10.1021/es505136k. [PMID: 25607923]
  • X Guan, J Hardenbrook, M J Fernstrom, R Chaudhuri, A M Malkinson, R J Ruch. Down-regulation by butylated hydroxytoluene of the number and function of gap junctions in epithelial cell lines derived from mouse lung and rat liver. Carcinogenesis. 1995 Oct; 16(10):2575-82. doi: 10.1093/carcin/16.10.2575. [PMID: 7586169]