Metconazole (BioDeep_00000002454)

   

natural product


代谢物信息卡片


Pesticide6_Metconazole_C17H22ClN3O_5-(4-Chlorophenylmethyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol

化学式: C17H22ClN3O (319.1451)
中文名称: 甲醇中叶菌唑溶液
谱图信息: 最多检出来源 Mus musculus(natural_products) 13.98%

分子结构信息

SMILES: CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1
InChI: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

描述信息

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3171
CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9898; ORIGINAL_PRECURSOR_SCAN_NO 9895
CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9890; ORIGINAL_PRECURSOR_SCAN_NO 9888
CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9838; ORIGINAL_PRECURSOR_SCAN_NO 9837
CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9910; ORIGINAL_PRECURSOR_SCAN_NO 9909
CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9790; ORIGINAL_PRECURSOR_SCAN_NO 9789
CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9852; ORIGINAL_PRECURSOR_SCAN_NO 9851
CONFIDENCE standard compound; INTERNAL_ID 8446
CONFIDENCE standard compound; INTERNAL_ID 2583

同义名列表

3 个代谢物同义名

Metconazole; Pesticide6_Metconazole_C17H22ClN3O_5-(4-Chlorophenylmethyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol; Metconazole



数据库引用编号

34 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)

0 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。

亚细胞结构定位 关联基因列表
Cytoplasm 11 ABCB1, AHR, AIMP2, AR, CAT, GAPDH, HPGDS, NR1I3, PKM, TBX20, TSHB
Peripheral membrane protein 1 CYP11A1
Endoplasmic reticulum membrane 1 CYP19A1
Mitochondrion membrane 1 CYP11A1
Nucleus 8 AHR, AIMP2, AR, GAPDH, JUND, NR1I3, PKM, TBX20
cytosol 10 AHR, AIMP2, AR, CAT, GAPDH, HPGDS, IL1B, NR1I3, PKM, SHB
dendrite 1 IL6ST
nucleoplasm 6 AHR, AR, HPGDS, JUND, NR1I3, SHB
RNA polymerase II transcription regulator complex 1 JUND
Cell membrane 4 ABCB1, IL6ST, KCNH2, TREH
Multi-pass membrane protein 3 ABCB1, CYP19A1, KCNH2
cell surface 2 ABCB1, KCNH2
mitochondrial inner membrane 1 CYP11A1
neuronal cell body 1 IL6ST
Cytoplasm, cytosol 3 AIMP2, GAPDH, IL1B
Lysosome 1 IL1B
plasma membrane 7 ABCB1, AR, GAPDH, IL6ST, KCNH2, SHB, TREH
Membrane 10 ABCB1, AIMP2, AR, CAT, CYP11A1, CYP19A1, GAPDH, IL6ST, KCNH2, TREH
apical plasma membrane 1 ABCB1
extracellular exosome 6 ABCB1, CAT, GAPDH, IL6ST, PKM, TREH
endoplasmic reticulum 1 CYP19A1
extracellular space 3 IL1B, IL6ST, TSHB
perinuclear region of cytoplasm 2 GAPDH, KCNH2
mitochondrion 3 CAT, CYP11A1, PKM
protein-containing complex 3 AHR, AR, CAT
intracellular membrane-bounded organelle 3 CAT, GAPDH, HPGDS
Microsome membrane 1 CYP19A1
Single-pass type I membrane protein 1 IL6ST
Secreted 2 IL1B, TSHB
extracellular region 5 CAT, IL1B, IL6ST, PKM, TSHB
[Isoform 2]: Secreted 1 IL6ST
mitochondrial matrix 2 CAT, CYP11A1
transcription regulator complex 2 AHR, JUND
nuclear membrane 1 GAPDH
external side of plasma membrane 1 IL6ST
Extracellular vesicle 1 PKM
microtubule cytoskeleton 1 GAPDH
vesicle 2 GAPDH, PKM
Apical cell membrane 1 ABCB1
Cytoplasm, perinuclear region 1 GAPDH
Mitochondrion inner membrane 1 CYP11A1
Membrane raft 1 IL6ST
Cytoplasm, cytoskeleton 2 GAPDH, NR1I3
focal adhesion 1 CAT
Peroxisome 1 CAT
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
collagen-containing extracellular matrix 1 PKM
secretory granule 1 IL1B
nuclear speck 1 AR
receptor complex 1 IL6ST
cilium 1 PKM
chromatin 5 AHR, AR, JUND, NR1I3, TBX20
cytoskeleton 2 GAPDH, NR1I3
cytoplasmic ribonucleoprotein granule 1 SHB
Lipid-anchor, GPI-anchor 1 TREH
Lipid droplet 1 GAPDH
monoatomic ion channel complex 1 KCNH2
aryl hydrocarbon receptor complex 1 AHR
side of membrane 1 TREH
inward rectifier potassium channel complex 1 KCNH2
voltage-gated potassium channel complex 1 KCNH2
ficolin-1-rich granule lumen 2 CAT, PKM
secretory granule lumen 2 CAT, PKM
transcription repressor complex 1 JUND
Secreted, extracellular exosome 1 IL1B
ribonucleoprotein complex 1 GAPDH
external side of apical plasma membrane 1 ABCB1
[Isoform 1]: Cell membrane 1 IL6ST
aminoacyl-tRNA synthetase multienzyme complex 1 AIMP2
Rough endoplasmic reticulum 1 PKM
GAIT complex 1 GAPDH
transcription factor AP-1 complex 1 JUND
catalase complex 1 CAT
interleukin-6 receptor complex 1 IL6ST
ciliary neurotrophic factor receptor complex 1 IL6ST
[Isoform M2]: Cytoplasm 1 PKM
[Isoform M1]: Cytoplasm 1 PKM
nuclear aryl hydrocarbon receptor complex 1 AHR
cytosolic aryl hydrocarbon receptor complex 1 AHR
oncostatin-M receptor complex 1 IL6ST


文献列表

  • Ziyang Diao, Shanshan Di, Peipei Qi, Zhenzhen Liu, Zhiwei Wang, Huiyu Zhao, Meng Wang, Chenghui Zhang, Xinquan Wang. Stereoselective study on chiral fungicide metconazole in four kinds of fruits: Absolute configuration, SFC-MS/MS enantioseparation, degradation and risk assessment. Food chemistry. 2024 Apr; 438(?):137944. doi: 10.1016/j.foodchem.2023.137944. [PMID: 37984002]
  • Liwang Fei, Lingyun Hao. In Vitro and Ex Vivo Antifungal Activities of Metconazole against the Rice Blast Fungus Pyricularia oryzae. Molecules (Basel, Switzerland). 2024 Mar; 29(6):. doi: 10.3390/molecules29061353. [PMID: 38542989]
  • Minmin Li, Lin Yang, Rui Wang, Lin Li, Yifan Zhang, Long Li, Nuo Jin, Yatao Huang, Zhiqiang Kong, Frédéric Francis, Bei Fan, Fengzhong Wang. Stereoselective cardiotoxic effects of metconazole on zebrafish (Danio rerio) based on AGE-RAGE signalling pathway. The Science of the total environment. 2024 Feb; 912(?):169304. doi: 10.1016/j.scitotenv.2023.169304. [PMID: 38128663]
  • Stefan Lorenz. Sediment characteristics mediate mixture effect of metconazole and thiacloprid on the activity behavior of the amphipod Hyalella azteca. Aquatic toxicology (Amsterdam, Netherlands). 2024 Jan; 266(?):106781. doi: 10.1016/j.aquatox.2023.106781. [PMID: 38043484]
  • Weixuan Di, Xinquan Wang, Mengyuan Ge, Tao Cang, Zhiwei Wang, Peipei Qi, Zhenzhen Liu, Huiyu Zhao, Wei Ding, Shanshan Di. Stereoselective, Diastereoselective Dissipation and Risk Assessment of Chiral Metconazole in Soybean, Peanut, Cabbage, Celery, Tomato, and Soil. Journal of agricultural and food chemistry. 2023 Dec; 71(48):18709-18721. doi: 10.1021/acs.jafc.3c06827. [PMID: 38009539]
  • Xin Liu, Shuang Wang, Zhongyue Fan, Jiawen Wu, Liwen Wang, Dan He, Sherif Ramzy Mohamed, Dawood H Dawood, Jianrong Shi, Tao Gao, Jianhong Xu. Antifungal activities of metconazole against the emerging wheat pathogen Fusarium pseudograminearum. Pesticide biochemistry and physiology. 2023 Feb; 190(?):105298. doi: 10.1016/j.pestbp.2022.105298. [PMID: 36740330]
  • Yue Deng, Rui Liu, Zikang Wang, Luyao Zhang, Simin Yu, Zhiqiang Zhou, Jinling Diao. The stereoselectivity of metconazole on wheat grain filling and harvested seeds germination: Implication for the application of triazole chiral pesticides. Journal of hazardous materials. 2021 08; 416(?):125911. doi: 10.1016/j.jhazmat.2021.125911. [PMID: 34492845]
  • Yue Deng, Rui Liu, Di Wu, Li Chen, Wenjun Zhang, Zikang Wang, Rujian He, Jinling Diao, Zhiqiang Zhou. Stereoselective Physiological Effects of Metconazole on Seed Germination and Seedling Growth of Wheat. Journal of agricultural and food chemistry. 2020 Oct; 68(42):11672-11683. doi: 10.1021/acs.jafc.0c03536. [PMID: 32991158]
  • Yabing Duan, Xian Tao, Huahua Zhao, Xuemei Xiao, Meixia Li, Jianxin Wang, Mingguo Zhou. Activity of Demethylation Inhibitor Fungicide Metconazole on Chinese Fusarium graminearum Species Complex and Its Application in Carbendazim-Resistance Management of Fusarium Head Blight in Wheat. Plant disease. 2019 May; 103(5):929-937. doi: 10.1094/pdis-09-18-1592-re. [PMID: 30880557]
  • Pierce A Paul, Carl A Bradley, Laurence V Madden, Felipe Dalla Lana, Gary C Bergstrom, Ruth Dill-Macky, Kiersten A Wise, Paul D Esker, Marcia McMullen, Arvydas Grybauskas, William W Kirk, Eugene Milus, Kay Ruden. Effects of Pre- and Postanthesis Applications of Demethylation Inhibitor Fungicides on Fusarium Head Blight and Deoxynivalenol in Spring and Winter Wheat. Plant disease. 2018 12; 102(12):2500-2510. doi: 10.1094/pdis-03-18-0466-re. [PMID: 30358506]
  • Yabing Duan, Meixia Li, Huahua Zhao, Fei Lu, Jianxin Wang, Mingguo Zhou. Molecular and biological characteristics of laboratory metconazole-resistant mutants in Fusarium graminearum. Pesticide biochemistry and physiology. 2018 Nov; 152(?):55-61. doi: 10.1016/j.pestbp.2018.08.011. [PMID: 30497711]
  • J M Palazzini, A M Torres, S N Chulze. Tolerance of triazole-based fungicides by biocontrol agents used to control Fusarium head blight in wheat in Argentina. Letters in applied microbiology. 2018 May; 66(5):434-438. doi: 10.1111/lam.12869. [PMID: 29478269]
  • C-W T Chang, J Y Takemoto. Antifungal Amphiphilic Aminoglycosides. MedChemComm. 2014 Aug; 5(8):1048-1057. doi: 10.1039/c4md00078a. [PMID: 25110571]
  • Hans J Cools, Carlos Bayon, Sarah Atkins, John A Lucas, Bart A Fraaije. Overexpression of the sterol 14α-demethylase gene (MgCYP51) in Mycosphaerella graminicola isolates confers a novel azole fungicide sensitivity phenotype. Pest management science. 2012 Jul; 68(7):1034-40. doi: 10.1002/ps.3263. [PMID: 22411894]
  • 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]
  • Akos Mesterházy, Beáta Tóth, Monika Varga, Tibor Bartók, Agnes Szabó-Hevér, László Farády, Szabolcs Lehoczki-Krsjak. Role of fungicides, application of nozzle types, and the resistance level of wheat varieties in the control of Fusarium head blight and deoxynivalenol. Toxins. 2011 Nov; 3(11):1453-83. doi: 10.3390/toxins3111453. [PMID: 22174980]
  • P A Paul, M P McMullen, D E Hershman, L V Madden. Meta-analysis of the effects of triazole-based fungicides on wheat yield and test weight as influenced by Fusarium head blight intensity. Phytopathology. 2010 Feb; 100(2):160-71. doi: 10.1094/phyto-100-2-0160. [PMID: 20055650]
  • Christoph Brandfass, Petr Karlovsky. Upscaled CTAB-based DNA extraction and real-time PCR assays for Fusarium culmorum and F. graminearum DNA in plant material with reduced sampling error. International journal of molecular sciences. 2008 Nov; 9(11):2306-2321. doi: 10.3390/ijms9112306. [PMID: 19330077]
  • P A Paul, P E Lipps, D E Hershman, M P McMullen, M A Draper, L V Madden. Efficacy of triazole-based fungicides for fusarium head blight and deoxynivalenol control in wheat: a multivariate meta-analysis. Phytopathology. 2008 Sep; 98(9):999-1011. doi: 10.1094/phyto-98-9-0999. [PMID: 18943738]