Fenbuconazole (BioDeep_00000002247)

   

natural product Industrial Pollutants


代谢物信息卡片


Pesticide6_Fenbuconazole_C19H17ClN4_4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile

化学式: C19H17ClN4 (336.1142)
中文名称: 甲醇中腈苯唑溶液, 腈苯唑
谱图信息: 最多检出来源 Escherichia coli(natural_products) 26.58%

分子结构信息

SMILES: C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N
InChI: InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2

描述信息

D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9428; ORIGINAL_PRECURSOR_SCAN_NO 9423
CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9465
CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9518; ORIGINAL_PRECURSOR_SCAN_NO 9516
CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9491
CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9544; ORIGINAL_PRECURSOR_SCAN_NO 9543
CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9531; ORIGINAL_PRECURSOR_SCAN_NO 9529

同义名列表

4 个代谢物同义名

Fenbuconazole; Pesticide6_Fenbuconazole_C19H17ClN4_4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile; FBZ; Fenbuconazole



数据库引用编号

20 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 8 BCL2, CALR, DAZL, GAPDH, MYL7, PIWIL1, TBX5, TH
Endoplasmic reticulum membrane 4 BCL2, CALR, CYP19A1, CYP26A1
Nucleus 11 BCL2, CALR, CYC1, DAZL, ESR2, GAPDH, GATA4, NR1I2, PIWIL1, TBX5, TH
cytosol 6 BCL2, CALR, GAPDH, MYL7, TH, TNNT2
dendrite 1 TH
nuclear body 2 GATA4, NR1I2
nucleoplasm 4 ESR2, GATA4, NR1I2, TBX5
RNA polymerase II transcription regulator complex 1 GATA4
Cell membrane 1 FSHR
Cell projection, axon 1 TH
Multi-pass membrane protein 3 CYP19A1, FSHR, SDHC
cell surface 4 CALR, ICAM1, TGFB3, TPO
glutamatergic synapse 1 CALR
mitochondrial inner membrane 2 CYC1, SDHC
neuronal cell body 1 TGFB3
postsynapse 1 CALR
smooth endoplasmic reticulum 2 CALR, TH
synaptic vesicle 1 TH
Cytoplasm, cytosol 2 CALR, GAPDH
acrosomal vesicle 1 CALR
plasma membrane 5 FSHR, GAPDH, ICAM1, TGFB3, TPO
terminal bouton 1 TH
Membrane 9 BCL2, CALR, CYC1, CYP19A1, FSHR, GAPDH, ICAM1, SDHC, TPO
axon 1 TH
extracellular exosome 3 CALR, GAPDH, ICAM1
endoplasmic reticulum 3 BCL2, CALR, CYP19A1
extracellular space 4 CALR, ICAM1, TGFB3, TPO
perinuclear region of cytoplasm 3 CALR, GAPDH, TH
mitochondrion 5 BCL2, CYC1, ESR2, SDHC, TH
protein-containing complex 3 BCL2, DAZL, TBX5
intracellular membrane-bounded organelle 3 ESR2, GAPDH, TGFB3
Microsome membrane 2 CYP19A1, CYP26A1
Single-pass type I membrane protein 2 ICAM1, TPO
Secreted 1 TGFB3
extracellular region 2 CALR, TGFB3
cytoplasmic side of plasma membrane 1 TH
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 2 BCL2, CYC1
mitochondrial outer membrane 1 BCL2
transcription regulator complex 2 NR1I2, TBX5
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 2 BCL2, GAPDH
external side of plasma membrane 2 CALR, ICAM1
Secreted, extracellular space, extracellular matrix 2 CALR, TGFB3
dendritic spine 1 MYL7
T-tubule 1 TGFB3
perikaryon 1 TH
cytoplasmic vesicle 1 TH
microtubule cytoskeleton 1 GAPDH
Melanosome membrane 1 TH
vesicle 1 GAPDH
Cytoplasm, perinuclear region 2 GAPDH, TH
Mitochondrion inner membrane 2 CYC1, SDHC
Membrane raft 1 ICAM1
pore complex 1 BCL2
Cytoplasm, cytoskeleton 1 GAPDH
focal adhesion 2 CALR, ICAM1
myofibril 1 MYL7
collagen-containing extracellular matrix 3 CALR, ICAM1, TGFB3
secretory granule 1 TGFB3
sarcomere 1 TNNT2
receptor complex 1 FSHR
neuron projection 1 TH
chromatin 4 ESR2, GATA4, NR1I2, TBX5
phagocytic vesicle membrane 1 CALR
cytoskeleton 1 GAPDH
nuclear envelope 1 CALR
Lipid droplet 1 GAPDH
myosin complex 1 MYL7
myelin sheath 1 BCL2
intermediate filament cytoskeleton 1 NR1I2
endoplasmic reticulum quality control compartment 1 CALR
endoplasmic reticulum lumen 1 CALR
platelet alpha granule lumen 1 TGFB3
chromatoid body 1 PIWIL1
P granule 1 PIWIL1
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 CALR
respiratory chain complex II (succinate dehydrogenase) 1 SDHC
immunological synapse 1 ICAM1
respiratory chain complex III 1 CYC1
Sarcoplasmic reticulum lumen 1 CALR
A band 1 MYL7
ribonucleoprotein complex 1 GAPDH
protein-DNA complex 1 TBX5
lumenal side of endoplasmic reticulum membrane 1 CALR
MHC class I peptide loading complex 1 CALR
GAIT complex 1 GAPDH
endocytic vesicle lumen 1 CALR
ribosome 2 CALR, DAZL
[Latency-associated peptide]: Secreted, extracellular space, extracellular matrix 1 TGFB3
cardiac myofibril 1 TNNT2
troponin complex 1 TNNT2
Cytoplasmic vesicle, secretory vesicle, synaptic vesicle 1 TH
Cytoplasmic vesicle, secretory vesicle, Cortical granule 1 CALR
cortical granule 1 CALR
Cytolytic granule 1 CALR
BAD-BCL-2 complex 1 BCL2
[Transforming growth factor beta-3]: Secreted 1 TGFB3
cardiac Troponin complex 1 TNNT2
striated muscle thin filament 1 TNNT2
dense body 1 PIWIL1


文献列表

  • Wenfeng Wang, Qun Wan, Yixin Li, Wenjun Xu, Xiangyang Yu. Uptake, translocation and subcellular distribution of pesticides in Chinese cabbage (Brassica rapa var. chinensis). Ecotoxicology and environmental safety. 2019 Nov; 183(?):109488. doi: 10.1016/j.ecoenv.2019.109488. [PMID: 31376804]
  • Yan Tao, Zuntao Zheng, Yang Yu, Jun Xu, Xingang Liu, Xiaohu Wu, Fengshou Dong, Yongquan Zheng. Supercritical fluid chromatography-tandem mass spectrometry-assisted methodology for rapid enantiomeric analysis of fenbuconazole and its chiral metabolites in fruits, vegetables, cereals, and soil. Food chemistry. 2018 Feb; 241(?):32-39. doi: 10.1016/j.foodchem.2017.08.038. [PMID: 28958535]
  • Thomas F Boudreau, Gregory M Peck, Sean F O'Keefe, Amanda C Stewart. The interactive effect of fungicide residues and yeast assimilable nitrogen on fermentation kinetics and hydrogen sulfide production during cider fermentation. Journal of the science of food and agriculture. 2017 Jan; 97(2):693-704. doi: 10.1002/jsfa.8096. [PMID: 27747891]
  • Yuanbo Li, Fengshou Dong, Xingang Liu, Jun Xu, Jing Li, Zhiqiang Kong, Xiu Chen, Yongquan Zheng. Environmental behavior of the chiral triazole fungicide fenbuconazole and its chiral metabolites: enantioselective transformation and degradation in soils. Environmental science & technology. 2012 Mar; 46(5):2675-83. doi: 10.1021/es203320x. [PMID: 22339258]
  • Emily E Pfeufer, Henry K Ngugi. Orchard factors associated with resistance and cross resistance to sterol demethylation inhibitor fungicides in populations of Venturia inaequalis from Pennsylvania. Phytopathology. 2012 Mar; 102(3):272-82. doi: 10.1094/phyto-04-11-0117. [PMID: 22007614]
  • 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]
  • Ying-Hong He, Sayaka Isono, Makoto Shibuya, Masaharu Tsuji, Charith-Raj Adkar Purushothama, Kazuaki Tanaka, Teruo Sano. Oligo-DNA custom macroarray for monitoring major pathogenic and non-pathogenic fungi and bacteria in the phyllosphere of apple trees. PloS one. 2012; 7(3):e34249. doi: 10.1371/journal.pone.0034249. [PMID: 22479577]
  • Yuanbo Li, Fengshou Dong, Xingang Liu, Jun Xu, Jing Li, Zhiqiang Kong, Xiu Chen, Wencheng Song, Yunhao Wang, Yongquan Zheng. Simultaneous enantioselective determination of fenbuconazole and its main metabolites in soil and water by chiral liquid chromatography/tandem mass spectrometry. Journal of chromatography. A. 2011 Sep; 1218(38):6667-74. doi: 10.1016/j.chroma.2011.07.059. [PMID: 21816403]
  • Zhonghua Ma, Tyre J Proffer, Janette L Jacobs, George W Sundin. Overexpression of the 14alpha-demethylase target gene (CYP51) mediates fungicide resistance in Blumeriella jaapii. Applied and environmental microbiology. 2006 Apr; 72(4):2581-5. doi: 10.1128/aem.72.4.2581-2585.2006. [PMID: 16597960]
  • Michael Vogeser, Xaver Schiel, Ute Spöhrer. Quantification of voriconazole in plasma by liquid chromatography-tandem mass spectrometry. Clinical chemistry and laboratory medicine. 2005; 43(7):730-4. doi: 10.1515/cclm.2005.124. [PMID: 16207133]