(±)-2-(1-Methylpropyl)-4,6-dinitrophenol (BioDeep_00000001781)

   

human metabolite Endogenous


代谢物信息卡片


(±)-2-(1-Methylpropyl)-4,6-dinitrophenol

化学式: C10H12N2O5 (240.07461819999997)
中文名称: 地乐酚标准溶液
谱图信息: 最多检出来源 Viridiplantae(plant) 15.46%

分子结构信息

SMILES: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
InChI: InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5272
CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5303; ORIGINAL_PRECURSOR_SCAN_NO 5302
CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5259; ORIGINAL_PRECURSOR_SCAN_NO 5256
CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4695; ORIGINAL_PRECURSOR_SCAN_NO 4691
CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4674; ORIGINAL_PRECURSOR_SCAN_NO 4673
CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5235; ORIGINAL_PRECURSOR_SCAN_NO 5234
D010575 - Pesticides > D005659 - Fungicides, Industrial > D004140 - Dinitrophenols
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8186
CONFIDENCE standard compound; EAWAG_UCHEM_ID 257
CONFIDENCE standard compound; INTERNAL_ID 2330
D010575 - Pesticides > D007306 - Insecticides
D010575 - Pesticides > D006540 - Herbicides
Acaricide and weed kille
D016573 - Agrochemicals

同义名列表

43 个代谢物同义名

(±)-2-(1-Methylpropyl)-4,6-dinitrophenol; 4,6-Dinitro-2-(1-methyl-N-propyl)phenol; 2,4-Dinitro-6-(1-methyl-propyl)phenol; 4,6-Dinitro-2-(1-methyl-propyl)phenol; 2-(1-Methylpropyl)-4,6-dinitro-phenol; 2-[1-Methylpropyl]-4,6-dinitrophenol; 2-(1-Methylpropyl)-4,6-dinitrophenol; 2,4-Dinitro-6-(1-methylpropyl)phenol; 2-(butan-2-yl)-4,6-dinitrophenol; 2-Sec-butyl-4,6-dinitro-phenol; Dinitro-ortho-sec-butyl phenol; 4,6-Dinitro-2-sec-butylphenol; 2-Sec-butyl-4,6-dinitrophenol; 6-Sec-butyl-2,4-dinitrophenol; 2,4-Dinitro-6-sec-butylphenol; 4,6-Dinitro-O-sec-butylphenol; Dinoseb triethanolamine salt; Dinoseb ethanolamine salt; Dinitro-O-sec-butylphenol; Dinoseb ammonium salt; Dinoseb sodium salt; Dinitrobutylphenol; Nitropone c; Premerge 3; Dinitro-3; Dinitrall; Butaphene; Dinitrax; Hivertox; Desicoil; Blaartox; Viruzona; Basanite; Tubotox; Dibutox; Subitex; DINOSEB; Kiloseb; Caldon; Spurge; Sparic; Aatox; DNBP



数据库引用编号

39 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)

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。



文献列表

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  • Gabriela Bueno Franco Salla, Lívia Bracht, Anacharis Babeto de Sá-Nakanishi, Angela Valderrama Parizotto, Fabrício Bracht, Rosane Marina Peralta, Adelar Bracht. Distribution, lipid-bilayer affinity and kinetics of the metabolic effects of dinoseb in the liver. Toxicology and applied pharmacology. 2017 08; 329(?):259-271. doi: 10.1016/j.taap.2017.06.013. [PMID: 28624444]
  • Jone Corrales, Lauren A Kristofco, W Baylor Steele, Gavin N Saari, Jakub Kostal, E Spencer Williams, Margaret Mills, Evan P Gallagher, Terrance J Kavanagh, Nancy Simcox, Longzhu Q Shen, Fjodor Melnikov, Julie B Zimmerman, Adelina M Voutchkova-Kostal, Paul T Anastas, Bryan W Brooks. Toward the Design of Less Hazardous Chemicals: Exploring Comparative Oxidative Stress in Two Common Animal Models. Chemical research in toxicology. 2017 04; 30(4):893-904. doi: 10.1021/acs.chemrestox.6b00246. [PMID: 27750016]
  • Olga P Kaminskaya, Vladimir A Shuvalov. Biphasic reduction of cytochrome b559 by plastoquinol in photosystem II membrane fragments: evidence for two types of cytochrome b559/plastoquinone redox equilibria. Biochimica et biophysica acta. 2013 Apr; 1827(4):471-83. doi: 10.1016/j.bbabio.2013.01.007. [PMID: 23357332]
  • Amel Nakbi, Wafa Tayeb, Abir Grissa, Manel Issaoui, Samia Dabbou, Issam Chargui, Meriem Ellouz, Abdelhedi Miled, Mohamed Hammami. Effects of olive oil and its fractions on oxidative stress and the liver's fatty acid composition in 2,4-Dichlorophenoxyacetic acid-treated rats. Nutrition & metabolism. 2010 Oct; 7(?):80. doi: 10.1186/1743-7075-7-80. [PMID: 21034436]
  • Amel Nakbi, Wafa Tayeb, Samia Dabbou, Manel Issaoui, Abir K Grissa, Nabil Attia, Mohamed Hammami. Dietary olive oil effect on antioxidant status and fatty acid profile in the erythrocyte of 2,4-D- exposed rats. Lipids in health and disease. 2010 Aug; 9(?):89. doi: 10.1186/1476-511x-9-89. [PMID: 20738870]
  • Helena Hansson, Anders Colmsjö, Ulrika Nilsson. Study of mass transfer in a dynamic hollow-fibre liquid phase microextraction system. Journal of separation science. 2010 Jan; 33(1):112-9. doi: 10.1002/jssc.200900539. [PMID: 20024928]
  • G Perchet, G Merlina, J-C Revel, M Hafidi, C Richard, E Pinelli. Evaluation of a TiO2 photocatalysis treatment on nitrophenols and nitramines contaminated plant wastewaters by solid-phase extraction coupled with ESI HPLC-MS. Journal of hazardous materials. 2009 Jul; 166(1):284-90. doi: 10.1016/j.jhazmat.2008.11.013. [PMID: 19111394]
  • Jacob G Bundy, Jasmin K Sidhu, Faisal Rana, David J Spurgeon, Claus Svendsen, Jodie F Wren, Stephen R Stürzenbaum, A John Morgan, Peter Kille. 'Systems toxicology' approach identifies coordinated metabolic responses to copper in a terrestrial non-model invertebrate, the earthworm Lumbricus rubellus. BMC biology. 2008 Jun; 6(?):25. doi: 10.1186/1741-7007-6-25. [PMID: 18522721]
  • Carine Staempfli, Joseph Tarradellas, Kristin Becker-van Slooten. Effects of dinoseb on energy reserves in the soil arthropod Folsomia candida. Ecotoxicology and environmental safety. 2007 Oct; 68(2):263-71. doi: 10.1016/j.ecoenv.2006.11.007. [PMID: 17258807]
  • D Gisi, G Stucki, K W Hanselmann. Biodegradation of the pesticide 4,6-dinitro-ortho-cresol by microorganisms in batch cultures and in fixed-bed column reactors. Applied microbiology and biotechnology. 1997 Oct; 48(4):441-8. doi: 10.1007/s002530051077. [PMID: 9390451]
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