1,7-dimethylurate (BioDeep_00000001125)

 

Secondary id: BioDeep_00000405642

human metabolite Endogenous blood metabolite Volatile Flavor Compounds natural product


代谢物信息卡片


2,8-dihydroxy-1,7-dimethyl-6,7-dihydro-1H-purin-6-one

化学式: C7H8N4O3 (196.0596378)
中文名称: 1,7-二甲基-2,6,8-三羟基嘌呤, 1,7-二甲基尿酸
谱图信息: 最多检出来源 Homo sapiens(blood) 0.03%

Reviewed

Last reviewed on 2024-09-13.

Cite this Page

1,7-dimethylurate. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/1,7-dimethylurate (retrieved 2024-11-21) (BioDeep RN: BioDeep_00000001125). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2
InChI: InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)

描述信息

1,7 dimethyluric acid is the major urinary caffeine metabolites that is produced in the human body. 1,7 dimethyluric acid is formed during metabolism of caffeine and the process is catalyzed primarily by CYP2A6. (PMID: 18715882) [HMDB]
1,7-Dimethyluric acid is the major urinary caffeine metabolite that is produced in the human body. 1,7-Dimethyluric acid is formed during caffeine metabolism and the process is catalyzed primarily by CYP2A6 (PMID: 18715882).

同义名列表

7 个代谢物同义名

2,8-dihydroxy-1,7-dimethyl-6,7-dihydro-1H-purin-6-one; 7,9-Dihydro-1,7-dimethyl-1H-purine-2,6,8(3H)-trione; 1,7-Dimethyluric acid; 1,7-Dimethylic acid; 1,7-Dimethylurate; 1,7-Dimethylate; 1,7-Dimethyluric acid



数据库引用编号

16 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(1)

PlantCyc(0)

代谢反应

8 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

WikiPathways(1)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(5)

  • Caffeine Metabolism: Oxygen + Paraxanthine + Water ⟶ 1,7-Dimethyluric acid + Hydrogen peroxide
  • Caffeine Metabolism: Oxygen + Paraxanthine + Water ⟶ 1,7-Dimethyluric acid + Hydrogen peroxide
  • Caffeine Metabolism: Oxygen + Paraxanthine + Water ⟶ 1,7-Dimethyluric acid + Hydrogen peroxide
  • Caffeine Metabolism: Oxygen + Paraxanthine + Water ⟶ 1,7-Dimethyluric acid + Hydrogen peroxide
  • Caffeine Metabolism: Oxygen + Paraxanthine + Water ⟶ 1,7-Dimethyluric acid + Hydrogen peroxide

PharmGKB(1)

9 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。



文献列表

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  • Yao Chen, Peng Xiao, Dong-Sheng Ou-Yang, Lan Fan, Dong Guo, Yi-Nan Wang, Yang Han, Jiang-Hua Tu, Gan Zhou, Yuan-Fei Huang, Hong-Hao Zhou. Simultaneous action of the flavonoid quercetin on cytochrome P450 (CYP) 1A2, CYP2A6, N-acetyltransferase and xanthine oxidase activity in healthy volunteers. Clinical and experimental pharmacology & physiology. 2009 Aug; 36(8):828-33. doi: 10.1111/j.1440-1681.2009.05158.x. [PMID: 19215233]
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  • Hans-Peter Rihs, Andrea John, Michael Scherenberg, Albrecht Seidel, Thomas Brüning. Concordance between the deduced acetylation status generated by high-speed: real-time PCR based NAT2 genotyping of seven single nucleotide polymorphisms and human NAT2 phenotypes determined by a caffeine assay. Clinica chimica acta; international journal of clinical chemistry. 2007 Feb; 376(1-2):240-3. doi: 10.1016/j.cca.2006.08.010. [PMID: 17011540]
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  • Mirosława Zydroń, Jacek Baranowski, Irena Baranowska. Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples. Journal of separation science. 2004 Oct; 27(14):1166-72. doi: 10.1002/jssc.200401841. [PMID: 15537072]
  • Chi-Chen Hong, Bing-Kou Tang, Venketeshwer Rao, Sanjiv Agarwal, Lisa Martin, David Tritchler, Martin Yaffe, Norman F Boyd. Cytochrome P450 1A2 (CYP1A2) activity, mammographic density, and oxidative stress: a cross-sectional study. Breast cancer research : BCR. 2004; 6(4):R338-51. doi: 10.1186/bcr797. [PMID: 15217501]
  • Fatima Vrtic, Walter E Haefeli, Jürgen Drewe, Stephan Krähenbühl, Markus Wenk. Interaction of ibuprofen and probenecid with drug metabolizing enzyme phenotyping procedures using caffeine as the probe drug. British journal of clinical pharmacology. 2003 Feb; 55(2):191-8. doi: 10.1046/j.1365-2125.2003.01725.x. [PMID: 12580991]
  • Klaus Abraham, Alexandra Geusau, Yalcin Tosun, Hans Helge, Steffen Bauer, Jürgen Brockmöller. Severe 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) intoxication: insights into the measurement of hepatic cytochrome P450 1A2 induction. Clinical pharmacology and therapeutics. 2002 Aug; 72(2):163-74. doi: 10.1067/mcp.2002.126408. [PMID: 12189363]
  • Junji Saruwatari, Kazuko Nakagawa, Junichi Shindo, Takahiro Tajiri, Masaki Fujieda, Hiroshi Yamazaki, Tetsuya Kamataki, Takashi Ishizaki. A population phenotyping study of three drug-metabolizing enzymes in Kyushu, Japan, with use of the caffeine test. Clinical pharmacology and therapeutics. 2002 Aug; 72(2):200-8. doi: 10.1067/mcp.2002.126173. [PMID: 12189367]
  • Susan Nowell, Carol Sweeney, George Hammons, Fred F Kadlubar, Nicholas P Lang. CYP2A6 activity determined by caffeine phenotyping: association with colorectal cancer risk. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 2002 Apr; 11(4):377-83. doi: . [PMID: 11927498]
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  • K Tsutsumi, T Kotegawa, S Matsuki, Y Tanaka, Y Ishii, Y Kodama, M Kuranari, I Miyakawa, S Nakano. The effect of pregnancy on cytochrome P4501A2, xanthine oxidase, and N-acetyltransferase activities in humans. Clinical pharmacology and therapeutics. 2001 Aug; 70(2):121-5. doi: 10.1067/mcp.2001.116495. [PMID: 11503005]
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  • B Sinués, M A Sáenz, J Lanuza, M L Bernal, A Fanlo, J L Juste, E Mayayo. Five caffeine metabolite ratios to measure tobacco-induced CYP1A2 activity and their relationships with urinary mutagenicity and urine flow. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology. 1999 Feb; 8(2):159-66. doi: . [PMID: 10067814]
  • J F Lu, T Yi, X M Cao, H T Zhuo, S S Ling. [Determination of caffeine metabolite for the evaluation of N-acetyltransferase, CYP1A2 and xanthine oxidase activities]. Yao xue xue bao = Acta pharmaceutica Sinica. 1997 Nov; 32(11):813-8. doi: NULL. [PMID: 11596199]
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