galben (BioDeep_00000002395)

   

human metabolite blood metabolite


代谢物信息卡片


Methyl 2-[N-(2,6-dimethylphenyl)-2-phenylacetamido]propanoic acid

化学式: C20H23NO3 (325.16778480000005)
中文名称: 精苯霜灵, 苯霜灵
谱图信息: 最多检出来源 Homo sapiens(blood) 89.47%

分子结构信息

SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2
InChI: InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9755; ORIGINAL_PRECURSOR_SCAN_NO 9753
CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9638; ORIGINAL_PRECURSOR_SCAN_NO 9633
CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738
CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9736; ORIGINAL_PRECURSOR_SCAN_NO 9733
CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9677; ORIGINAL_PRECURSOR_SCAN_NO 9675
CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9703; ORIGINAL_PRECURSOR_SCAN_NO 9701
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3035
CONFIDENCE standard compound; INTERNAL_ID 8447
CONFIDENCE standard compound; INTERNAL_ID 32

同义名列表

9 个代谢物同义名

Methyl 2-[N-(2,6-dimethylphenyl)-2-phenylacetamido]propanoic acid; methyl 2-[N-(2,6-dimethylphenyl)-2-phenylacetamido]propanoate; Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninic acid; Methyl N-phenylacetyl-N-2,6-xylylalaninate; Benalaxyl, (D)-isomer; Benalaxyl, (L)-isomer; benalaxyl-M; BENALAXYL; galben



数据库引用编号

29 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

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)

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。

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

  • Xinru Wang, Dezhen Wang, Zhiqiang Zhou, Wentao Zhu. Subacute oral toxicity assessment of benalaxyl in mice based on metabolomics methods. Chemosphere. 2018 Jan; 191(?):373-380. doi: 10.1016/j.chemosphere.2017.10.085. [PMID: 29054078]
  • Gopinath C Nallani, Shaaban F ElNaggar, Li Shen, Appavu Chandrasekaran. In vitro metabolism of [14C]-benalaxyl in hepatocytes of rats, dogs and humans. Regulatory toxicology and pharmacology : RTP. 2017 Mar; 84(?):26-34. doi: 10.1016/j.yrtph.2016.12.006. [PMID: 27993653]
  • Xinru Wang, Wentao Zhu, Jing Qiu, Dezhen Wang, Zhiqiang Zhou. Enantioselective metabolism and enantiomerization of benalaxyl in mice. Chemosphere. 2017 Feb; 169(?):308-315. doi: 10.1016/j.chemosphere.2016.11.091. [PMID: 27886532]
  • Yinghuan Wang, Baoyuan Guo, Yongxin Gao, Peng Xu, Yanfeng Zhang, Jianzhong Li, Huili Wang. Stereoselective degradation and toxic effects of benalaxyl on blood and liver of the Chinese lizard Eremias argus. Pesticide biochemistry and physiology. 2014 Jan; 108(?):34-41. doi: 10.1016/j.pestbp.2013.11.004. [PMID: 24485313]
  • Ledan Huang, Dahai Lu, Jinling Diao, Zhiqiang Zhou. Enantioselective toxic effects and biodegradation of benalaxyl in Scenedesmus obliquus. Chemosphere. 2012 Mar; 87(1):7-11. doi: 10.1016/j.chemosphere.2011.11.029. [PMID: 22169712]
  • Bernhard Mayer-Helm, Ludwig Hofbauer, Jutta Müller. Method development for the determination of selected pesticides on tobacco by high-performance liquid chromatography-electrospray ionisation-tandem mass spectrometry. Talanta. 2008 Feb; 74(5):1184-90. doi: 10.1016/j.talanta.2007.08.033. [PMID: 18371768]
  • Xinquan Wang, Guifang Jia, Jing Qiu, Jinling Diao, Wentao Zhu, Chunguang Lv, Zhiqiang Zhou. Stereoselective degradation of fungicide benalaxyl in soils and cucumber plants. Chirality. 2007 May; 19(4):300-6. doi: 10.1002/chir.20381. [PMID: 17345561]
  • Jing Qiu, Qiuxia Wang, Wentao Zhu, Guifang Jia, Xinquan Wang, Zhiqiang Zhou. Stereoselective determination of benalaxyl in plasma by chiral high-performance liquid chromatography with diode array detector and application to pharmacokinetic study in rabbits. Chirality. 2007 Jan; 19(1):51-5. doi: 10.1002/chir.20341. [PMID: 17089341]
  • D Callens, R Sarrazyn, W Evens. Signum, a new fungicide for control of leaf diseases in outdoor vegetables. Communications in agricultural and applied biological sciences. 2005; 70(3):199-207. doi: ". [PMID: 16637178]