Linuron (BioDeep_00000001162)

 

Secondary id: BioDeep_00000404628

human metabolite blood metabolite Industrial Pollutants


代谢物信息卡片


N-(3,4-dichlorophenyl)-N-methoxy-N-methyl urea

化学式: C9H10Cl2N2O2 (248.0119)
中文名称: 正己烷中利谷隆溶液, 利谷隆
谱图信息: 最多检出来源 Homo sapiens(blood) 15.32%

分子结构信息

SMILES: c1(cc(c(Cl)cc1)Cl)NC(N(OC)C)=O
InChI: InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4724; ORIGINAL_PRECURSOR_SCAN_NO 4722
CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4711; ORIGINAL_PRECURSOR_SCAN_NO 4707
CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4718; ORIGINAL_PRECURSOR_SCAN_NO 4717
CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4709; ORIGINAL_PRECURSOR_SCAN_NO 4707
CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732; ORIGINAL_PRECURSOR_SCAN_NO 4729
CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4811; ORIGINAL_PRECURSOR_SCAN_NO 4807
CONFIDENCE standard compound; EAWAG_UCHEM_ID 160
CONFIDENCE standard compound; INTERNAL_ID 8412
CONFIDENCE standard compound; INTERNAL_ID 4031
CONFIDENCE standard compound; INTERNAL_ID 2323
D010575 - Pesticides > D006540 - Herbicides
D016573 - Agrochemicals

同义名列表

8 个代谢物同义名

N-(3,4-dichlorophenyl)-N-methoxy-N-methyl urea; 1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea; 3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea; 1-(3,4-dichlorophenyl)-3-methoxy-3-methylurea; LINURON; Afalon; LNR; Linuron



数据库引用编号

49 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

1 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

  • linuron degradation: 3,4-dichloroaniline + H+ + NADPH + O2 ⟶ 4,5-dichlorobenzene-1,2-diol + NADP+ + ammonium

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。

亚细胞结构定位 关联基因列表
Cytoplasm 10 AHR, AR, ARHGAP45, CASP3, CAT, CYP1A1, ESR1, HPGDS, LPO, PGR
Peripheral membrane protein 5 ACHE, CYP11A1, CYP1A1, CYP1B1, ESR1
Endoplasmic reticulum membrane 5 CYP17A1, CYP1A1, CYP1A2, CYP1B1, STAR
Mitochondrion membrane 2 CYP11A1, TSPO
Nucleus 7 ACHE, AHR, AR, CASP3, ESR1, PCNA, PGR
cytosol 9 AHR, AR, ARHGAP45, CASP3, CAT, ESR1, HPGDS, PGR, TSPO
mitochondrial membrane 1 TSPO
nuclear body 1 PCNA
centrosome 1 PCNA
nucleoplasm 7 AHR, AR, CASP3, ESR1, HPGDS, PCNA, PGR
Cell membrane 3 ACHE, ESR1, STAR
Cytoplasmic side 1 ESR1
ruffle membrane 1 ARHGAP45
Multi-pass membrane protein 1 TSPO
Synapse 1 ACHE
cell surface 1 ACHE
glutamatergic synapse 1 CASP3
Golgi apparatus 2 ACHE, ESR1
lysosomal membrane 1 EGF
mitochondrial inner membrane 2 CYP11A1, CYP1A1
neuromuscular junction 1 ACHE
neuronal cell body 2 CASP3, CYP17A1
plasma membrane 7 ACHE, AR, ARHGAP45, EGF, ESR1, PGR, STAR
Membrane 9 ACHE, AR, ARHGAP45, CAT, CYP11A1, CYP1B1, EGF, ESR1, TSPO
axon 1 CYP17A1
basolateral plasma membrane 1 LPO
extracellular exosome 5 CAT, EGF, LPO, PCNA, TSPO
endoplasmic reticulum 2 CYP17A1, TSPO
extracellular space 4 ACHE, EGF, INSL3, LPO
perinuclear region of cytoplasm 2 ACHE, INSL3
mitochondrion 6 CAT, CYP11A1, CYP1A1, CYP1B1, STAR, TSPO
protein-containing complex 4 AHR, AR, CAT, ESR1
intracellular membrane-bounded organelle 6 CAT, CYP1A1, CYP1A2, CYP1B1, HPGDS, TSPO
Microsome membrane 4 CYP17A1, CYP1A1, CYP1A2, CYP1B1
postsynaptic density 1 CASP3
Single-pass type I membrane protein 1 STAR
Secreted 3 ACHE, INSL3, LPO
extracellular region 6 ACHE, ARHGAP45, CAT, EGF, INSL3, LPO
mitochondrial outer membrane 2 PGR, TSPO
mitochondrial matrix 3 CAT, CYP11A1, STAR
Extracellular side 1 ACHE
transcription regulator complex 2 AHR, ESR1
Cell projection, ruffle membrane 1 ARHGAP45
Mitochondrion inner membrane 2 CYP11A1, CYP1A1
focal adhesion 1 CAT
Peroxisome 1 CAT
basement membrane 1 ACHE
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
mitochondrial intermembrane space 1 STAR
nuclear speck 1 AR
chromatin 5 AHR, AR, ESR1, PCNA, PGR
nuclear replication fork 1 PCNA
chromosome, telomeric region 1 PCNA
Lipid-anchor, GPI-anchor 1 ACHE
aryl hydrocarbon receptor complex 1 AHR
euchromatin 1 ESR1
side of membrane 1 ACHE
replication fork 1 PCNA
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 2 ARHGAP45, CAT
male germ cell nucleus 1 PCNA
platelet alpha granule lumen 1 EGF
azurophil granule lumen 1 ARHGAP45
nuclear lamina 1 PCNA
clathrin-coated endocytic vesicle membrane 1 EGF
[Isoform 1]: Nucleus 1 ESR1
synaptic cleft 1 ACHE
death-inducing signaling complex 1 CASP3
cyclin-dependent protein kinase holoenzyme complex 1 PCNA
catalase complex 1 CAT
[Isoform 4]: Mitochondrion outer membrane 1 PGR
PCNA complex 1 PCNA
PCNA-p21 complex 1 PCNA
replisome 1 PCNA
[Isoform H]: Cell membrane 1 ACHE
nuclear aryl hydrocarbon receptor complex 1 AHR
cytosolic aryl hydrocarbon receptor complex 1 AHR


文献列表

  • Muhammad Haroon, Wissam Iali, Abdulaziz A Al-Saadi. Conformational analysis and concentration detection of linuron: Spectroscopic NMR and SERS study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 2021 Dec; 263(?):120223. doi: 10.1016/j.saa.2021.120223. [PMID: 34329849]
  • Harry Lerner, Başak Öztürk, Anja B Dohrmann, Joice Thomas, Kathleen Marchal, René De Mot, Wim Dehaen, Christoph C Tebbe, Dirk Springael. DNA-SIP and repeated isolation corroborate Variovorax as a key organism in maintaining the genetic memory for linuron biodegradation in an agricultural soil. FEMS microbiology ecology. 2021 04; 97(5):. doi: 10.1093/femsec/fiab051. [PMID: 33784375]
  • Harry Lerner, Başak Öztürk, Anja B Dohrmann, Joice Thomas, Kathleen Marchal, René De Mot, Wim Dehaen, Christoph C Tebbe, Dirk Springael. Culture-Independent Analysis of Linuron-Mineralizing Microbiota and Functions in on-Farm Biopurification Systems via DNA-Stable Isotope Probing: Comparison with Enrichment Culture. Environmental science & technology. 2020 08; 54(15):9387-9397. doi: 10.1021/acs.est.0c02124. [PMID: 32569463]
  • Jennifer A Fitzgerald, Maciej Trznadel, Ioanna Katsiadaki, Eduarda M Santos. Hypoxia modifies the response to flutamide and linuron in male three-spined stickleback (Gasterosteus aculeatus). Environmental pollution (Barking, Essex : 1987). 2020 Aug; 263(Pt A):114326. doi: 10.1016/j.envpol.2020.114326. [PMID: 32247919]
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  • Pieter Albers, Bram Weytjens, René De Mot, Kathleen Marchal, Dirk Springael. Molecular processes underlying synergistic linuron mineralization in a triple-species bacterial consortium biofilm revealed by differential transcriptomics. MicrobiologyOpen. 2018 04; 7(2):e00559. doi: 10.1002/mbo3.559. [PMID: 29314727]
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  • Pieter Albers, Cédric Lood, Basak Özturk, Benjamin Horemans, Rob Lavigne, Vera van Noort, René De Mot, Kathleen Marchal, Aminael Sanchez-Rodriguez, Dirk Springael. Catabolic task division between two near-isogenic subpopulations co-existing in a herbicide-degrading bacterial consortium: consequences for the interspecies consortium metabolic model. Environmental microbiology. 2018 01; 20(1):85-96. doi: 10.1111/1462-2920.13994. [PMID: 29124862]
  • C Quintaneiro, D Patrício, S C Novais, A M V M Soares, M S Monteiro. Endocrine and physiological effects of linuron and S-metolachlor in zebrafish developing embryos. The Science of the total environment. 2017 May; 586(?):390-400. doi: 10.1016/j.scitotenv.2016.11.153. [PMID: 28209406]
  • Hongwei Ding, Wei Zheng, Hua Han, Xiyin Hu, Binli Hu, Feng Wang, Liyu Su, Hong Li, Yan Li. Reproductive toxicity of linuron following gestational exposure in rats and underlying mechanisms. Toxicology letters. 2017 Jan; 266(?):49-55. doi: 10.1016/j.toxlet.2016.12.013. [PMID: 28007637]
  • Ahmet Topal, Gonca Alak, Serdar Altun, Hüseyin Serkan Erol, Muhammed Atamanalp. Evaluation of 8-hydroxy-2-deoxyguanosine and NFkB activation, oxidative stress response, acetylcholinesterase activity, and histopathological changes in rainbow trout brain exposed to linuron. Environmental toxicology and pharmacology. 2017 Jan; 49(?):14-20. doi: 10.1016/j.etap.2016.11.009. [PMID: 27886567]
  • Benjamin Horemans, Karolien Bers, Erick Ruiz Romero, Eva Pose Juan, Vincent Dunon, René De Mot, Dirk Springael. Functional Redundancy of Linuron Degradation in Microbial Communities in Agricultural Soil and Biopurification Systems. Applied and environmental microbiology. 2016 May; 82(9):2843-2853. doi: 10.1128/aem.04018-15. [PMID: 26944844]
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