Carfentrazone-ethyl (BioDeep_00000002233)

   

human metabolite blood metabolite


代谢物信息卡片


ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate

化学式: C15H14Cl2F3N3O3 (411.036427)
中文名称: 氟酮唑草
谱图信息: 最多检出来源 Homo sapiens(blood) 58.33%

分子结构信息

SMILES: CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
InChI: InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9627; ORIGINAL_PRECURSOR_SCAN_NO 9624
CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9574; ORIGINAL_PRECURSOR_SCAN_NO 9569
CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9643; ORIGINAL_PRECURSOR_SCAN_NO 9639
CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9545; ORIGINAL_PRECURSOR_SCAN_NO 9543
CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9629; ORIGINAL_PRECURSOR_SCAN_NO 9625
CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9569; ORIGINAL_PRECURSOR_SCAN_NO 9567
D010575 - Pesticides > D006540 - Herbicides
D016573 - Agrochemicals

同义名列表

4 个代谢物同义名

ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate; Ethyl alpha-2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluorobenzenepropanoate; ((14)C)Carfentrazone-ethyl; Carfentrazone-ethyl



数据库引用编号

18 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

  • Mengyao Li, Xinxin Ma, Yanru Wang, Muhammad Saleem, Yong Yang, Qingming Zhang. Ecotoxicity of herbicide carfentrazone-ethyl towards earthworm Eisenia fetida in soil. Comparative biochemistry and physiology. Toxicology & pharmacology : CBP. 2022 Mar; 253(?):109250. doi: 10.1016/j.cbpc.2021.109250. [PMID: 34826613]
  • Samuel Alves Dos Santos, Leonardo David Tuffi-Santos, Francisco André Ossamu Tanaka, Bruno Francisco Sant'Anna-Santos, Fabrício de Ávila Rodrigues, Acelino Couto Alfenas. Carfentrazone-ethyl and glyphosate drift inhibits uredinial formation of Austropuccinia psidii on Eucalyptus grandis leaves. Pest management science. 2019 Jan; 75(1):53-62. doi: 10.1002/ps.5163. [PMID: 30073761]
  • Olivia A Obenland, Rong Ma, Sarah R O'Brien, Anatoli V Lygin, Dean E Riechers. Carfentrazone-ethyl resistance in an Amaranthus tuberculatus population is not mediated by amino acid alterations in the PPO2 protein. PloS one. 2019; 14(4):e0215431. doi: 10.1371/journal.pone.0215431. [PMID: 30986256]
  • Jinsheng Duan, Mingna Sun, Yang Shen, Beibei Gao, Zhaoxian Zhang, Tongchun Gao, Minghua Wang. Enantioselective Acute Toxicity and Bioactivity of Carfentrazone-ethyl enantiomers. Bulletin of environmental contamination and toxicology. 2018 Nov; 101(5):651-656. doi: 10.1007/s00128-018-2474-6. [PMID: 30361749]
  • Jinsheng Duan, Xu Dong, Yang Shen, Beibei Gao, Zhaoxian Zhang, Tongchun Gao, Minghua Wang. Simultaneous determination of enantiomers of carfentrazone-ethyl and its metabolite in eight matrices using high-performance liquid chromatography with tandem mass spectrometry. Journal of separation science. 2018 Oct; 41(19):3697-3705. doi: 10.1002/jssc.201701349. [PMID: 30074302]
  • Monika Tomkiel, Małgorzata Baćmaga, Agata Borowik, Jadwiga Wyszkowska, Jan Kucharski. The sensitivity of soil enzymes, microorganisms and spring wheat to soil contamination with carfentrazone-ethyl. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes. 2018 Feb; 53(2):97-107. doi: 10.1080/03601234.2017.1387475. [PMID: 29172968]
  • Nannan Pang, Yu Cui, Jiye Hu. Weather dependent dynamics of the herbicides florasulam, carfentrazone-ethyl, fluroxypyr-meptyl and fluroxypyr in wheat fields through field studies and computational simulation. Chemosphere. 2016 Dec; 165(?):320-328. doi: 10.1016/j.chemosphere.2016.09.026. [PMID: 27664521]
  • Yuanbo Li, Fengshou Dong, Xingang Liu, Jun Xu, Wuying Chen, Li Cheng, Ping Ning, Jing Li, Yunhao Wang, Yongquan Zheng. Enantioselective separation of the carfentrazone-ethyl enantiomers in soil, water and wheat by HPLC. Journal of separation science. 2010 Jul; 33(13):1973-9. doi: 10.1002/jssc.200900881. [PMID: 20506426]
  • Angela Fanigliulo, Vittorio Filì, Aniello Crescenzi. Carfentrazone-ethyl: a new molecule for the control of hazelnut shoots. Communications in agricultural and applied biological sciences. 2009; 74(2):521-3. doi: . [PMID: 20222613]
  • G Haesaert, V Derycke, B Deroo, J Latré. Effect of different chemical and mechanical defolation methods on the skin quality of potatoes. Communications in agricultural and applied biological sciences. 2004; 69(4):757-63. doi: . [PMID: 15756866]