typhon (BioDeep_00000001962)

   

human metabolite blood metabolite


代谢物信息卡片


1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

化学式: C14H16ClN3O2 (293.09309859999996)
中文名称: 甲醇中三唑酮溶液
谱图信息: 最多检出来源 Homo sapiens(blood) 31.17%

分子结构信息

SMILES: CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl
InChI: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9257; ORIGINAL_PRECURSOR_SCAN_NO 9255
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9197; ORIGINAL_PRECURSOR_SCAN_NO 9195
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9205; ORIGINAL_PRECURSOR_SCAN_NO 9203
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9250; ORIGINAL_PRECURSOR_SCAN_NO 9246
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4784; ORIGINAL_PRECURSOR_SCAN_NO 4780
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4767; ORIGINAL_PRECURSOR_SCAN_NO 4764
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4773; ORIGINAL_PRECURSOR_SCAN_NO 4771
ORIGINAL_ACQUISITION_NO 4761; CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4756
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9251; ORIGINAL_PRECURSOR_SCAN_NO 9247
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9148; ORIGINAL_PRECURSOR_SCAN_NO 9147
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4768; ORIGINAL_PRECURSOR_SCAN_NO 4764
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4761; ORIGINAL_PRECURSOR_SCAN_NO 4756
CONFIDENCE standard compound; INTERNAL_ID 553; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4740; ORIGINAL_PRECURSOR_SCAN_NO 4739
KEIO_ID T112; [MS2] KO009258
KEIO_ID T112; [MS3] KO009259
KEIO_ID T112; [MS3] KO009260
D016573 - Agrochemicals
D010575 - Pesticides
KEIO_ID T112

同义名列表

10 个代谢物同义名

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one; 1-(1,2,4-Triazolyl)-1-(4-chlorophenoxy)-3,3-dimethylbutan-2-one; Triadimefon nitrate; Triadimefon sulfate; Tripinacloraz; TRIADIMEFON; TRIADIMENOL; Bayleton; Azocene; typhon



数据库引用编号

41 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)

3 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

  • Xingle Guo, Haijuan Jiang, Yuqi Guo, Liyan Jia, Xu Jing, Junxue Wu. Subzero-temperature homogeneous liquid-liquid extraction for the stereoselective determination of chiral triadimefon and its metabolite in water, fruit juice, vinegar, and fermented liquor by HPLC. Analytical methods : advancing methods and applications. 2023 10; 15(41):5492-5499. doi: 10.1039/d3ay01061a. [PMID: 37842813]
  • Shan-Shan Song, Qing Yu, Long-Wei Yuan, Wajid Anwar, Qin Li, Qian Hao, Guo-Li Wu, Yu Li, Yun-Song Lai. Absorption, translocation, and accumulation of the fungicide triadimefon in Pak choi (Brassica rapa var chinensis), pepper (Capsicum annuum), and cucumber (Cucumis sativus). Environmental monitoring and assessment. 2023 Sep; 195(10):1235. doi: 10.1007/s10661-023-11842-1. [PMID: 37731061]
  • Fan Ji, Aihong Zhou, Bofan Liu, Yue Liu, Yaoxuan Feng, Xiaodong Wang, Lili Huang, Zhensheng Kang, Gangming Zhan. Sensitivity of Puccinia triticina f. sp. tritici from China to Triadimefon and Resistance Risk Assessment. Plant disease. 2023 Jun; ?(?):. doi: 10.1094/pdis-02-23-0277-re. [PMID: 37311234]
  • Bingjie Xu, Chonglan Zheng, Ting Sun, Yue Wu, Mingjie He, Weiping Chen, Pei Zhang, Haidong Jiang. Beneficial effects of triadimefon in overcoming drought stress in soybean at fluorescence stage. Journal of plant physiology. 2023 Jun; 287(?):154015. doi: 10.1016/j.jplph.2023.154015. [PMID: 37301038]
  • Savini Thrikawala, Fahmi Mesmar, Beas Bhattacharya, Maram Muhsen, Srijita Mukhopadhyay, Sara Flores, Sanat Upadhyay, Leoncio Vergara, Jan-Åke Gustafsson, Cecilia Williams, Maria Bondesson. Triazole fungicides induce adipogenesis and repress osteoblastogenesis in zebrafish. Toxicological sciences : an official journal of the Society of Toxicology. 2023 Mar; ?(?):. doi: 10.1093/toxsci/kfad031. [PMID: 36951524]
  • Gangming Zhan, Fan Ji, Jun Zhao, Yue Liu, Aihong Zhou, Minghao Xia, Juntian Zhang, Lili Huang, Jun Guo, Zhensheng Kang. Sensitivity and Resistance Risk Assessment of Puccinia striiformis f. sp. tritici to Triadimefon in China. Plant disease. 2022 Jun; 106(6):1690-1699. doi: 10.1094/pdis-10-21-2168-re. [PMID: 34962420]
  • Yu-Ying Liu, Si-Dong Zhang, Jin-Jing Xiao, Wen-Zhe Feng, Dong Wei, Ya-Jing Deng, Hai-Qun Cao, Yan-Hong Shi. Gut microbiota-involved metabolism and intestinal absorption mechanisms in decreasing bioaccessibility of triadimefon in strawberry and grape. Food chemistry. 2022 Mar; 373(Pt B):131575. doi: 10.1016/j.foodchem.2021.131575. [PMID: 34801285]
  • Yu Sumei, Li Xin, He Shuhong, Zhang Hongchao, Jin Maojun, Zheng Yongquan, Zhang Luqing, Yu Yunlong. Uptake and translocation of triadimefon by wheat (Triticum aestivum L.) grown in hydroponics and soil conditions. Journal of hazardous materials. 2022 02; 423(Pt A):127011. doi: 10.1016/j.jhazmat.2021.127011. [PMID: 34461532]
  • Qiang Xu, Quanxu Chen, Liben Lin, Pu Zhang, Zengqiang Li, Yige Yu, Feifei Ma, Yingfen Ying, Xiaoheng Li, Ren-Shan Ge. Triadimefon suppresses fetal adrenal gland development after in utero exposure. Toxicology. 2021 10; 462(?):152932. doi: 10.1016/j.tox.2021.152932. [PMID: 34508824]
  • Jie Li, Zhiyuan Lu, Yang Yang, Jinfeng Hou, Lingyun Yuan, Guohu Chen, Chenggang Wang, Shaoke Jia, Xuming Feng, Shidong Zhu. Transcriptome Analysis Reveals the Symbiotic Mechanism of Ustilago esculenta-Induced Gall Formation of Zizania latifolia. Molecular plant-microbe interactions : MPMI. 2021 Feb; 34(2):168-185. doi: 10.1094/mpmi-05-20-0126-r. [PMID: 33400553]
  • Zhiqiang Kong, Rui Quan, Bei Fan, Yonghong Liao, Jieyin Chen, Minmin Li, Xiaofeng Dai. Stereoselective behaviors of the fungicide triadimefon and its metabolite triadimenol during malt storage and beer brewing. Journal of hazardous materials. 2020 12; 400(?):123238. doi: 10.1016/j.jhazmat.2020.123238. [PMID: 32947687]
  • Ouli Xiao, Minmin Li, Jieyin Chen, Ruixing Li, Rui Quan, Zezhou Zhang, Zhiqiang Kong, Xiaofeng Dai. Influence of Triazole Pesticides on Wine Flavor and Quality Based on Multidimensional Analysis Technology. Molecules (Basel, Switzerland). 2020 Nov; 25(23):. doi: 10.3390/molecules25235596. [PMID: 33260751]
  • Xianxin Wu, Qiang Bian, Qiujun Lin, Qian Sun, Xinyu Ni, Xiaofeng Xu, Yongchun Qiu, Yuanhu Xuan, Yuanyin Cao, Tianya Li. Sensitivity of Puccinia graminis f. sp. tritici Isolates From China to Triadimefon and Cross-Resistance Against Diverse Fungicides. Plant disease. 2020 Aug; 104(8):2082-2085. doi: 10.1094/pdis-01-20-0009-re. [PMID: 32552283]
  • Małgorzata Baćmaga, Jan Kucharski, Jadwiga Wyszkowska. Microbiological and biochemical properties of soil polluted with a mixture of spiroxamine, tebuconazole, and triadimenol under the cultivation of Triticum aestivum L. Environmental monitoring and assessment. 2019 Jun; 191(7):416. doi: 10.1007/s10661-019-7539-4. [PMID: 31172361]
  • Yinghong Li, Jing Hu, Mingrong Qian, Qiang Wang, Hu Zhang. Degradation of triadimefon and residue levels of metabolite triadimenol: tracing rapeseed from harvesting and storage to household oil processing. Journal of the science of food and agriculture. 2019 Mar; 99(4):1484-1491. doi: 10.1002/jsfa.9321. [PMID: 30126020]
  • Ana Belén López Santísima-Trinidad, María Del Mar Montiel-Rozas, Miguel Ángel Diéz-Rojo, Jose Antonio Pascual, Margarita Ros. Impact of foliar fungicides on target and non-target soil microbial communities in cucumber crops. Ecotoxicology and environmental safety. 2018 Dec; 166(?):78-85. doi: 10.1016/j.ecoenv.2018.09.074. [PMID: 30248564]
  • Chun Ming How, Shang-Wei Li, Vivian Hsiu-Chuan Liao. Chronic exposure to triadimenol at environmentally relevant concentration adversely affects aging biomarkers in Caenorhabditis elegans associated with insulin/IGF-1 signaling pathway. The Science of the total environment. 2018 Nov; 640-641(?):485-492. doi: 10.1016/j.scitotenv.2018.05.314. [PMID: 29864662]
  • Xiangsheng Zhao, Yan Mu, Meihua Yang. A simple multi-residue method for determination of plant growth retardants in Ophiopogon japonicus and soil using ultra-performance liquid chromatography-tandem mass spectrometry. Chemosphere. 2018 Sep; 207(?):329-336. doi: 10.1016/j.chemosphere.2018.05.105. [PMID: 29803882]
  • Richard Raphael Madege, Kris Audenaert, Martin Kimanya, Bendantukuka Tiisekwa, Bruno De Meulenaer, Boris Bekaert, Sofie Landschoot, Geert Haesaert. Control of Fusarium verticillioides (Sacc.) Nirenberg and Fumonisins by Using a Combination of Crop Protection Products and Fertilization. Toxins. 2018 02; 10(2):. doi: 10.3390/toxins10020067. [PMID: 29393913]
  • Galina A Gazieva, Lada V Anikina, Tatyana V Nechaeva, Sergey A Pukhov, Tatyana B Karpova, Sergey V Popkov, Yulia V Nelyubina, Natalya G Kolotyrkina, Angelina N Kravchenko. Synthesis and biological evaluation of new substituted thioglycolurils, their analogues and derivatives. European journal of medicinal chemistry. 2017 Nov; 140(?):141-154. doi: 10.1016/j.ejmech.2017.09.009. [PMID: 28923382]
  • Jitong Li, Yinghuan Wang, Wei Li, Peng Xu, Baoyuan Guo, Jianzhong Li, Huili Wang. Tissue distribution and metabolism of triadimefon and triadimenol enantiomers in Chinese lizards (Eremias argus). Ecotoxicology and environmental safety. 2017 Aug; 142(?):284-292. doi: 10.1016/j.ecoenv.2017.04.035. [PMID: 28433593]
  • Jitong Li, Jing Chang, Wei Li, Baoyuan Guo, Jianzhong Li, Huili Wang. Disruption of sex-hormone levels and steroidogenic-related gene expression on Mongolia Racerunner (Eremias argus) after exposure to triadimefon and its enantiomers. Chemosphere. 2017 Mar; 171(?):554-563. doi: 10.1016/j.chemosphere.2016.12.096. [PMID: 28039834]
  • Zhiqiang Kong, Minmin Li, Jieying Chen, Yuejing Gui, Yuming Bao, Bei Fan, Qiu Jian, Frédéric Francis, Xiaofeng Dai. Behavior of field-applied triadimefon, malathion, dichlorvos, and their main metabolites during barley storage and beer processing. Food chemistry. 2016 Nov; 211(?):679-86. doi: 10.1016/j.foodchem.2016.05.058. [PMID: 27283683]
  • Zhoulin Yao, Xiaoge Li, Yelong Miao, Mei Lin, Mingfei Xu, Qiang Wang, Hu Zhang. Simultaneous enantioselective determination of triadimefon and its metabolite triadimenol in edible vegetable oil by gel permeation chromatography and ultraperformance convergence chromatography/tandem mass spectrometry. Analytical and bioanalytical chemistry. 2015 Nov; 407(29):8849-59. doi: 10.1007/s00216-015-9046-y. [PMID: 26416018]
  • Yuanbo Li, Fengshou Dong, Xingang Liu, Jun Xu, Yongtao Han, Yongquan Zheng. Chiral fungicide triadimefon and triadimenol: Stereoselective transformation in greenhouse crops and soil, and toxicity to Daphnia magna. Journal of hazardous materials. 2014 Jan; 265(?):115-23. doi: 10.1016/j.jhazmat.2013.11.055. [PMID: 24342051]
  • Virunya S Bhat, Susan D Hester, Stephen Nesnow, David A Eastmond. Concordance of transcriptional and apical benchmark dose levels for conazole-induced liver effects in mice. Toxicological sciences : an official journal of the Society of Toxicology. 2013 Nov; 136(1):205-15. doi: 10.1093/toxsci/kft182. [PMID: 23970803]
  • Madhavi Doma, Gauri Abhayankar, V D Reddy, P B Kavi Kishor. Carbohydrate and elicitor enhanced withanolide (withaferin A and withanolide A) accumulation in hairy root cultures of Withania somnifera (L.). Indian journal of experimental biology. 2012 Jul; 50(7):484-90. doi: ". [PMID: 22822528]
  • Tjeerd Blacquière, Guy Smagghe, Cornelis A M van Gestel, Veerle Mommaerts. Neonicotinoids in bees: a review on concentrations, side-effects and risk assessment. Ecotoxicology (London, England). 2012 May; 21(4):973-92. doi: 10.1007/s10646-012-0863-x. [PMID: 22350105]
  • Yuanbo Li, Fengshou Dong, Xingang Liu, Jun Xu, Jing Li, Zhiqiang Kong, Xiu Chen, Xuyang Liang, Yongquan Zheng. Simultaneous enantioselective determination of triazole fungicides in soil and water by chiral liquid chromatography/tandem mass spectrometry. Journal of chromatography. A. 2012 Feb; 1224(?):51-60. doi: 10.1016/j.chroma.2011.12.044. [PMID: 22209355]
  • Hongwu Liang, Jing Qiu, Li Li, Wei Li, Zhiqiang Zhou, Fengmao Liu, Lihong Qiu. Stereoselective separation and determination of triadimefon and triadimenol in wheat, straw, and soil by liquid chromatography-tandem mass spectrometry. Journal of separation science. 2012 Jan; 35(1):166-73. doi: 10.1002/jssc.201100365. [PMID: 22102610]
  • Hua Fang, Fei F Tang, Wei Zhou, Zheng Y Cao, Dan D Wang, Kai L Liu, Xiang W Wu, Yun L Yu. Persistence of repeated triadimefon application and its impact on soil microbial functional diversity. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes. 2012; 47(2):104-10. doi: 10.1080/03601234.2012.616775. [PMID: 22251210]
  • Eveline Snelders, Simone M T Camps, Anna Karawajczyk, Gijs Schaftenaar, Gert H J Kema, Henrich A van der Lee, Corné H Klaassen, Willem J G Melchers, Paul E Verweij. Triazole fungicides can induce cross-resistance to medical triazoles in Aspergillus fumigatus. PloS one. 2012; 7(3):e31801. doi: 10.1371/journal.pone.0031801. [PMID: 22396740]
  • K Kollárová, I Zelko, M Henselová, P Capek, D Lišková. Growth and anatomical parameters of adventitious roots formed on mung bean hypocotyls are correlated with galactoglucomannan oligosaccharides structure. TheScientificWorldJournal. 2012; 2012(?):797815. doi: 10.1100/2012/797815. [PMID: 22666154]
  • Bao-Lei Wang, Xing-Hai Liu, Xiu-Lan Zhang, Ji-Feng Zhang, Hai-Bin Song, Zheng-Ming Li. Synthesis, structure and biological activity of novel 1,2,4-triazole mannich bases containing a substituted benzylpiperazine moiety. Chemical biology & drug design. 2011 Jul; 78(1):42-9. doi: 10.1111/j.1747-0285.2011.01132.x. [PMID: 21521489]
  • Leiyan Yan, Qianqian Yang, Jinhua Jiang, Themis J Michailides, Zhonghua Ma. Involvement of a putative response regulator Brrg-1 in the regulation of sporulation, sensitivity to fungicides, and osmotic stress in Botrytis cinerea. Applied microbiology and biotechnology. 2011 Apr; 90(1):215-26. doi: 10.1007/s00253-010-3027-z. [PMID: 21161211]
  • S Riaz, A C Tenscher, D W Ramming, M A Walker. Using a limited mapping strategy to identify major QTLs for resistance to grapevine powdery mildew (Erysiphe necator) and their use in marker-assisted breeding. TAG. Theoretical and applied genetics. Theoretische und angewandte Genetik. 2011 Apr; 122(6):1059-73. doi: 10.1007/s00122-010-1511-6. [PMID: 21188350]
  • Hiroyuki Kojima, Fumihiro Sata, Shinji Takeuchi, Tatsuya Sueyoshi, Tadanori Nagai. Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays. Toxicology. 2011 Feb; 280(3):77-87. doi: 10.1016/j.tox.2010.11.008. [PMID: 21115097]
  • Xin Liu, Fangwei Yu, Guido Schnabel, Jianbing Wu, Zhengyi Wang, Zhonghua Ma. Paralogous cyp51 genes in Fusarium graminearum mediate differential sensitivity to sterol demethylation inhibitors. Fungal genetics and biology : FG & B. 2011 Feb; 48(2):113-23. doi: 10.1016/j.fgb.2010.10.004. [PMID: 20955812]
  • Vidya V Iyer, Meric A Ovacik, Ioannis P Androulakis, Charles M Roth, Marianthi G Ierapetritou. Transcriptional and metabolic flux profiling of triadimefon effects on cultured hepatocytes. Toxicology and applied pharmacology. 2010 Nov; 248(3):165-77. doi: 10.1016/j.taap.2010.07.015. [PMID: 20659493]
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