1,3,7-Trimethyluric acid (BioDeep_00000405513)

 

Secondary id: BioDeep_00000002392

natural product


代谢物信息卡片


1,3,7-Trimethyluric acid

化学式: C8H10N4O3 (210.075287)
中文名称: 1,3,7-三甲基尿酸
谱图信息: 最多检出来源 Homo sapiens(blood) 0.08%

分子结构信息

SMILES: CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C
InChI: InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)

描述信息

An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.

同义名列表

1 个代谢物同义名

1,3,7-Trimethyluric acid



数据库引用编号

26 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

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

2 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

  • Martin Kertys, Nela Žideková, Kristián Pršo, Katarína Maráková, Katarína Kmeťová, Juraj Mokrý. Simultaneous determination of caffeine and its metabolites in rat plasma by UHPLC-MS/MS. Journal of separation science. 2021 Dec; 44(23):4274-4283. doi: 10.1002/jssc.202100604. [PMID: 34626085]
  • Markéta Paloncýová, Veronika Navrátilová, Karel Berka, Alessandro Laio, Michal Otyepka. Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4. Journal of chemical theory and computation. 2016 Apr; 12(4):2101-9. doi: 10.1021/acs.jctc.6b00075. [PMID: 26967371]
  • Michael E Rybak, Maya R Sternberg, Ching-I Pao, Namanjeet Ahluwalia, Christine M Pfeiffer. Urine excretion of caffeine and select caffeine metabolites is common in the U.S. population and associated with caffeine intake. The Journal of nutrition. 2015 Apr; 145(4):766-74. doi: 10.3945/jn.114.205476. [PMID: 25833779]
  • Hideo Nakabayashi, Takashi Hashimoto, Hitoshi Ashida, Shin Nishiumi, Kazuki Kanazawa. Inhibitory effects of caffeine and its metabolites on intracellular lipid accumulation in murine 3T3-L1 adipocytes. BioFactors (Oxford, England). 2008; 34(4):293-302. doi: 10.3233/bio-2009-1083. [PMID: 19850984]
  • 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]
  • Andreas Labedzki, Jeroen Buters, Wafaâ Jabrane, Uwe Fuhr. Differences in caffeine and paraxanthine metabolism between human and murine CYP1A2. Biochemical pharmacology. 2002 Jun; 63(12):2159-67. doi: 10.1016/s0006-2952(02)01019-5. [PMID: 12110375]
  • V B Bhat, G R Sridhar, K M Madyastha. Efficient scavenging of hydroxyl radicals and inhibition of lipid peroxidation by novel analogues of 1,3,7-trimethyluric acid. Life sciences. 2001 Dec; 70(4):381-93. doi: 10.1016/s0024-3205(01)01484-9. [PMID: 11798008]
  • S C Yuan, C J Wang, H W Kuo, M C Maa, Y S Hsieh. Effect of tea and coffee consumption on serum uric acid levels by liquid-chromatographic and uricase methods. Bulletin of environmental contamination and toxicology. 2000 Sep; 65(3):300-6. doi: 10.1007/s0012800128. [PMID: 10903352]
  • Y Benchekroun, S Dautraix, M Désage, J L Brazier. Isotopic effects on retention times of caffeine and its metabolites 1,3,7-trimethyluric acid, theophylline, theobromine and paraxanthine. Journal of chromatography. B, Biomedical sciences and applications. 1997 Jan; 688(2):245-54. doi: 10.1016/s0378-4347(96)00323-4. [PMID: 9061462]