pyraflufen (BioDeep_00000002056)

   


代谢物信息卡片


Pyraflufen-ethyl

  化学式: C15H13Cl2F3N2O4 (412.0204)
中文名称: 霸草灵
  谱图信息: 最多检出来源 Mus musculus(not specific) 1.52%

分子结构信息

SMILES: CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl
InChI: InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3


描述信息

CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9709; ORIGINAL_PRECURSOR_SCAN_NO 9708
CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9657; ORIGINAL_PRECURSOR_SCAN_NO 9655
CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9632; ORIGINAL_PRECURSOR_SCAN_NO 9630
CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9674; ORIGINAL_PRECURSOR_SCAN_NO 9672
CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9681; ORIGINAL_PRECURSOR_SCAN_NO 9679
CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9708; ORIGINAL_PRECURSOR_SCAN_NO 9706

同义名列表

32 个代谢物同义名

Pyraflufen-ethyl; pyraflufen; XOC9Q2DLMI; Pyraflufen-ethyl; Acetic acid, (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)-, ethyl ester; Acetic acid, (2chloro5(4chloro5(difluoromethoxy)1methyl1Hpyrazol3yl)4fluorophenoxy), ethyl ester; ACETIC ACID, 2-(2-CHLORO-5-(4-CHLORO-5-(DIFLUOROMETHOXY)-1-METHYL-1H-PYRAZOL-3-YL)-4-FLUOROPHENOXY)-, ETHYL ESTER; Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester; ECOPART; ethyl (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetate; ethyl (2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy)acetate; Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate; ethyl {2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate; Ethyl 2-(2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetate; ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetate; ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate; ethyl 2-{2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate; Ethyl 2-chloro-5-; Ethyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyace tate; ethyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyacetate, ethyl (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetate; ethyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyacetate, ethyl [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetate; HERB 1; Potassium Tellurate;Thunderbolt; PYRAFLUFEN ETHYL ESTER; Pyraflufen-ethyl (Standard); PYRAFLUFEN-ETHYL [HSDB]; Pyraflufen-ethyl [ISO:BSI]; PYRAFLUFEN-ETHYL [ISO]; Pyraflufen-ethyl, PESTANAL(R), analytical standard; Thunderbolt; Tox21_300698; UNII-XOC9Q2DLMI



数据库引用编号

15 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome()

BioCyc()

PlantCyc()

代谢反应

个相关的代谢反应过程信息。

Reactome()

BioCyc()

WikiPathways()

Plant Reactome()

INOH()

PlantCyc()

COVID-19 Disease Map()

PathBank()

PharmGKB()

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

  • Ru-Liang Xie, Tao Zhang, Ao-Cheng Cao, Xiang-Dong Mei. 4-(4-Chloro-5-methyl-3-trifluoro-meth-yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl-oxy)pyrimidine. Acta crystallographica. Section E, Structure reports online. 2010 Aug; 66(Pt 9):o2307. doi: 10.1107/s1600536810031740. [PMID: 21588656]
  • Hong-Ju Ma, Qian-Fei Zhao, Xiang-Dong Mei, Jun Ning. 4-Bromo-5-[(5,5-dimethyl-4,5-dihydro-isoxazol-3-yl)sulfonyl-meth-yl]-3-methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole. Acta crystallographica. Section E, Structure reports online. 2009 Oct; 65(Pt 11):o2702-3. doi: 10.1107/s1600536809040380. [PMID: 21578303]
  • Hong-Ju Ma, Qian-Fei Zhao, Xiang-Dong Mei, Jun Ning. 4-Chloro-5-[(5,5-dimethyl-4,5-dihydro-isoxazol-3-yl)sulfonyl-meth-yl]-3-methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole. Acta crystallographica. Section E, Structure reports online. 2009 Sep; 65(Pt 10):o2567. doi: 10.1107/s1600536809038471. [PMID: 21578005]
  • J Simon. [Relation between salt intake and blood pressure]. Vnitrni lekarstvi. 1989 Mar; 35(3):264-70. doi: NULL. [PMID: 2734998]
  • H J Hilderson, M J De Wolf, A R Lagrou, W S Dierick. Subcellular structure of bovine thyroid gland. A study on bovine thyroid membranes by buoyant-density-gradient centrifugation in a B-XIV zonal rotor. The Biochemical journal. 1975 Dec; 152(3):601-7. doi: 10.1042/bj1520601. [PMID: 5997]