Tolclofos-methyl (BioDeep_00000002303)

   


代谢物信息卡片


(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

  化学式: C9H11Cl2O3PS (299.9544)
中文名称: 正己烷中甲基立枯磷溶液
  谱图信息: 最多检出来源 Viridiplantae(plant) 10.88%

分子结构信息

SMILES: CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl
InChI: InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3


描述信息

CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9291; ORIGINAL_PRECURSOR_SCAN_NO 9287
CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9271; ORIGINAL_PRECURSOR_SCAN_NO 9267
CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9333
CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9322; ORIGINAL_PRECURSOR_SCAN_NO 9318
CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9241; ORIGINAL_PRECURSOR_SCAN_NO 9237

同义名列表

38 个代谢物同义名

Tolclofos-methyl; UNII-G42OQL6F5B; Tolclofos-methyl; Tolclofos-methyl; (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-|E5-phosphane; (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane; (O,O-dimethyl O-(2,6-dichloro-4-methylphenyl)phosphorothioate); 1ST21003; Basilex; Dimethyl O-(2,6-dichloro-4-methylphenyl) phosphorothioate; G42OQL6F5B; Grancer; o-(2,6-Dichloro-4-methylphenyl) o,o-dimethyl phosphorothioate; O-(2,6-Dichloro-4-methylphenyl) O,O-dimethyl phosphorothioate (9CI); O-(2,6-Dichloro-4-methylphenyl) O,O-dimethyl thiophosphate #; O-(2,6-dichloro-4-methylphenyl)phosphorothioic acid O,O-dimethyl ester; O-(2,6-Dichloro-p-tolyl) O,O-dimethyl ester of phosphorothioic acid; O-(2,6-Dichloro-p-tolyl) O,O-dimethyl thiophosphate; o-2,6-dichloro-4-methylphenyl o,o-dimethyl phosphorothioate; O-2,6-Dichloro-p-tolyl O,O-dimethyl phosphorothioate; O,O-Dimethyl O-(2,6-dichloro-4-methylphenyl) phosphorothioate; O,O-Dimethyl O-(2,6-dichloro-4-methylphenyl)phosphorothioate; Phosphorothioic acid, O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl ester; Phosphorothioic acid, O-(2,6-dichloro-4-methylphenyl) O,O-dimethylester; Phosphorothioic acid, O-(2,6-dichloro-p-tolyl) O,O-dimethyl ester; Risolex; Rizolex; Toclofos-methyl; tolclofos-Me; Tolclofos-methyl (Standard); Tolclofos-methyl [BSI:ISO]; Tolclofos-methyl [ISO]; TOLCLOFOS-METHYL [MI]; Tolclofos-methyl 10 microg/mL in Cyclohexane; Tolclofos-methyl, PESTANAL(R), analytical standard; Tolclophos-methyl; TOLCOFOS-METHYL; Tox21_301347



数据库引用编号

16 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome()

BioCyc()

PlantCyc()

代谢反应

个相关的代谢反应过程信息。

Reactome()

BioCyc()

WikiPathways()

Plant Reactome()

INOH()

PlantCyc()

COVID-19 Disease Map()

PathBank()

PharmGKB()

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 6 AHR, AR, CYP1A1, ESR1, FASN, PPARG
Peripheral membrane protein 3 CYP1A1, ESR1, LPL
Endoplasmic reticulum membrane 1 CYP1A1
Mitochondrion membrane 1 ABCG2
Nucleus 7 AHR, AR, CEBPA, ESR1, ESR2, PARP1, PPARG
cytosol 7 AHR, AR, ESR1, FASN, PARP1, PLIN1, PPARG
mitochondrial membrane 1 ABCG2
nuclear body 1 PARP1
nucleoplasm 8 ABCG2, AHR, AR, CEBPA, ESR1, ESR2, PARP1, PPARG
RNA polymerase II transcription regulator complex 2 CEBPA, PPARG
Cell membrane 4 ABCG2, ESR1, LPL, SLC16A2
Cytoplasmic side 1 ESR1
Multi-pass membrane protein 2 ABCG2, SLC16A2
cell surface 1 LPL
Golgi apparatus 2 ESR1, FASN
mitochondrial inner membrane 1 CYP1A1
Cytoplasm, cytosol 1 PARP1
plasma membrane 6 ABCG2, AR, ESR1, FASN, LPL, SLC16A2
Membrane 7 ABCG2, AR, ESR1, FASN, PARP1, PLIN1, SLC16A2
apical plasma membrane 2 ABCG2, SLC16A2
extracellular exosome 1 FASN
endoplasmic reticulum 1 PLIN1
extracellular space 1 LPL
perinuclear region of cytoplasm 1 PPARG
mitochondrion 3 CYP1A1, ESR2, PARP1
protein-containing complex 4 AHR, AR, ESR1, PARP1
intracellular membrane-bounded organelle 4 CEBPA, CYP1A1, ESR2, PPARG
Microsome membrane 1 CYP1A1
Secreted 1 LPL
extracellular region 1 LPL
Extracellular side 1 LPL
transcription regulator complex 4 AHR, CEBPA, ESR1, PARP1
Secreted, extracellular space, extracellular matrix 1 LPL
chylomicron 1 LPL
very-low-density lipoprotein particle 1 LPL
nucleolus 2 CEBPA, PARP1
Apical cell membrane 2 ABCG2, SLC16A2
Mitochondrion inner membrane 1 CYP1A1
Membrane raft 1 ABCG2
nuclear speck 1 AR
receptor complex 1 PPARG
chromatin 7 AHR, AR, CEBPA, ESR1, ESR2, PARP1, PPARG
Chromosome 1 PARP1
brush border membrane 1 ABCG2
Nucleus, nucleolus 1 PARP1
nuclear replication fork 1 PARP1
chromosome, telomeric region 1 PARP1
site of double-strand break 1 PARP1
nuclear envelope 1 PARP1
Lipid droplet 1 PLIN1
aryl hydrocarbon receptor complex 1 AHR
Melanosome 1 FASN
euchromatin 1 ESR1
[Isoform 1]: Nucleus 1 ESR1
protein-DNA complex 1 PARP1
external side of apical plasma membrane 1 ABCG2
site of DNA damage 1 PARP1
catalytic complex 1 LPL
[Poly [ADP-ribose] polymerase 1, processed N-terminus]: Chromosome 1 PARP1
[Poly [ADP-ribose] polymerase 1, processed C-terminus]: Cytoplasm 1 PARP1
C/EBP complex 1 CEBPA
CHOP-C/EBP complex 1 CEBPA
nuclear aryl hydrocarbon receptor complex 1 AHR
cytosolic aryl hydrocarbon receptor complex 1 AHR
glycogen granule 1 FASN
[Isoform 4]: Nucleus, nucleolus 1 CEBPA


文献列表

  • Jin Tae Kim, Hong Jin Lee, Hee-Seok Lee. Organophosphorus pesticides exert estrogen receptor agonistic effect determined using Organization for Economic Cooperation and Development PBTG455, and induce estrogen receptor-dependent adipogenesis of 3T3-L1 adipocytes. Environmental pollution (Barking, Essex : 1987). 2021 Aug; 283(?):117090. doi: 10.1016/j.envpol.2021.117090. [PMID: 33872936]
  • Mohamed Shenashen, Aly Derbalah, Amany Hamza, Ahmed Mohamed, Sherif El Safty. Antifungal activity of fabricated mesoporous alumina nanoparticles against root rot disease of tomato caused by Fusarium oxysporium. Pest management science. 2017 Jun; 73(6):1121-1126. doi: 10.1002/ps.4420. [PMID: 27558672]
  • Sandra Halwachs, Ingo Schäfer, Carsten Kneuer, Peter Seibel, Walther Honscha. Assessment of ABCG2-mediated transport of pesticides across the rabbit placenta barrier using a novel MDCKII in vitro model. Toxicology and applied pharmacology. 2016 08; 305(?):66-74. doi: 10.1016/j.taap.2016.06.007. [PMID: 27288731]
  • Rui Su, Xu Xu, Xinghua Wang, Dan Li, Xueyuan Li, Hanqi Zhang, Aimin Yu. Determination of organophosphorus pesticides in peanut oil by dispersive solid phase extraction gas chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2011 Nov; 879(30):3423-8. doi: 10.1016/j.jchromb.2011.09.016. [PMID: 21963478]
  • 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]
  • K A Osman, A M Al-Humaid, S M Al-Rehiayani, K N Al-Redhaiman. Monitoring of pesticide residues in vegetables marketed in Al-Qassim region, Saudi Arabia. Ecotoxicology and environmental safety. 2010 Sep; 73(6):1433-9. doi: 10.1016/j.ecoenv.2010.05.020. [PMID: 20627311]
  • Matthias Kretschmer, Michaela Leroch, Andreas Mosbach, Anne-Sophie Walker, Sabine Fillinger, Dennis Mernke, Henk-Jan Schoonbeek, Jean-Marc Pradier, Pierre Leroux, Maarten A De Waard, Matthias Hahn. Fungicide-driven evolution and molecular basis of multidrug resistance in field populations of the grey mould fungus Botrytis cinerea. PLoS pathogens. 2009 Dec; 5(12):e1000696. doi: 10.1371/journal.ppat.1000696. [PMID: 20019793]
  • Helen Jacobs, Simon N Gray, David H Crump. Interactions between nematophagous fungi and consequences for their potential as biological agents for the control of potato cyst nematodes. Mycological research. 2003 Jan; 107(Pt 1):47-56. doi: 10.1017/s0953756202007098. [PMID: 12735243]
  • C Aprea, G Sciarra, L Lunghini, L Centi, F Ceccarelli. Evaluation of respiratory and cutaneous doses and urinary excretion of alkylphosphates by workers in greenhouses treated with omethoate, fenitrothion, and tolclofos-methyl. AIHAJ : a journal for the science of occupational and environmental health and safety. 2001 Jan; 62(1):87-95. doi: 10.1080/15298660108984614. [PMID: 11258873]