(±)-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 (240.0746)
中文名称: 地乐酚标准溶液
谱图信息: 最多检出来源 Homo sapiens(plant) 14.69%

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

44 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; Dinoseb



数据库引用编号

40 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。

亚细胞结构定位 关联基因列表
Cytoplasm 8 CAT, DNPEP, METAP2, MTHFD1, NQO1, PAICS, PRAME, SOD1
Peripheral membrane protein 2 CYP27A1, SDHA
Mitochondrion membrane 1 CYP27A1
Nucleus 5 DNPEP, GABPA, NQO1, PRAME, SOD1
cytosol 10 ACP5, CAT, DNPEP, GCLC, METAP2, MTHFD1, NQO1, PAICS, PPAT, SOD1
dendrite 1 NQO1
nucleoplasm 3 GABPA, PRAME, SOD1
Cell membrane 1 PRAME
Multi-pass membrane protein 1 TM2D1
Synapse 1 NQO1
Golgi apparatus 1 PRAME
Golgi membrane 1 INS
mitochondrial inner membrane 3 ATP5PF, CYP27A1, SDHA
neuronal cell body 2 NQO1, SOD1
Cytoplasm, cytosol 1 NQO1
Lysosome 1 ACP5
plasma membrane 3 METAP2, PRAME, TM2D1
Membrane 6 ACP5, CAT, MTHFD1, NQO1, PAICS, TM2D1
extracellular exosome 5 CAT, MMP9, MTHFD1, PAICS, SOD1
extracellular space 4 IGF1, INS, MMP9, SOD1
mitochondrion 7 ATP5PF, CAT, CYP27A1, GCLC, MTHFD1, SDHA, SOD1
protein-containing complex 2 CAT, SOD1
intracellular membrane-bounded organelle 1 CAT
Secreted 2 IGF1, INS
extracellular region 5 CAT, IGF1, INS, MMP9, SOD1
mitochondrial matrix 4 CAT, CYP27A1, SDHA, SOD1
Secreted, extracellular space, extracellular matrix 1 MMP9
cytoplasmic vesicle 1 SOD1
nucleolus 1 SDHA
axon cytoplasm 1 SOD1
Mitochondrion inner membrane 3 ATP5PF, CYP27A1, SDHA
Matrix side 1 SDHA
focal adhesion 1 CAT
Peroxisome 2 CAT, SOD1
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
mitochondrial intermembrane space 1 SOD1
collagen-containing extracellular matrix 1 MMP9
dendrite cytoplasm 1 SOD1
chromatin 2 GABPA, PRAME
Chromosome 1 PRAME
blood microparticle 1 DNPEP
Cul2-RING ubiquitin ligase complex 1 PRAME
endosome lumen 1 INS
exocytic vesicle 1 IGF1
ficolin-1-rich granule lumen 2 CAT, MMP9
secretory granule lumen 2 CAT, INS
Golgi lumen 1 INS
endoplasmic reticulum lumen 1 INS
platelet alpha granule lumen 1 IGF1
tertiary granule lumen 1 MMP9
transport vesicle 1 INS
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
respiratory chain complex II (succinate dehydrogenase) 1 SDHA
proton-transporting ATP synthase complex 1 ATP5PF
proton-transporting ATP synthase complex, coupling factor F(o) 1 ATP5PF
catalase complex 1 CAT
alphav-beta3 integrin-IGF-1-IGF1R complex 1 IGF1
insulin-like growth factor binding protein complex 1 IGF1
insulin-like growth factor ternary complex 1 IGF1
glutamate-cysteine ligase complex 1 GCLC


文献列表

  • Huanhuan Xing, Xiaolong Yu, Jianteng Sun, Guining Lu, Minghan Zhu, Jiahao Liang, Ling Jin, Lizhong Zhu. Interaction between Phthalate Ester and Rice Plants: Novel Transformation Pathways and Metabolic-Network Perturbations. Environmental science & technology. 2023 Jun; ?(?):. doi: 10.1021/acs.est.2c09737. [PMID: 37260373]
  • 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]
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  • 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]
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