Ioxynil (BioDeep_00000001798)

 

Secondary id: BioDeep_00000397701

human metabolite blood metabolite


代谢物信息卡片


4-hydroxy-3,5-diiodobenzonitrile

化学式: C7H3I2NO (370.8304)
中文名称: 碘苯腈, 碘西尼
谱图信息: 最多检出来源 Homo sapiens(blood) 99.17%

分子结构信息

SMILES: C1=C(C=C(C(=C1I)O)I)C#N
InChI: InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

描述信息

CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4634; ORIGINAL_PRECURSOR_SCAN_NO 4633
CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4614; ORIGINAL_PRECURSOR_SCAN_NO 4611
CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4621; ORIGINAL_PRECURSOR_SCAN_NO 4618
CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4593; ORIGINAL_PRECURSOR_SCAN_NO 4590
CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4618; ORIGINAL_PRECURSOR_SCAN_NO 4615
CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4633; ORIGINAL_PRECURSOR_SCAN_NO 4631

同义名列表

8 个代谢物同义名

4-hydroxy-3,5-diiodobenzonitrile; Ioxynil, sodium salt; Loxynil; Bentrol; Ioxynil; Actril; Ioxynil; Ioxynil



数据库引用编号

17 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 6 AHR, ALB, CYP1A1, GJA1, PPM1G, PVR
Peripheral membrane protein 1 CYP1A1
Endoplasmic reticulum membrane 2 CYP1A1, GJA1
Mitochondrion membrane 1 ABCG2
Nucleus 8 AHR, ALB, FLI1, GJA1, PPM1G, RTCA, THRA, THRB
cytosol 6 AHR, ALB, FLI1, GJA1, PTGIR, THRA
mitochondrial membrane 1 ABCG2
nuclear body 2 FLI1, THRB
centrosome 1 ALB
nucleoplasm 8 ABCG2, AHR, FLI1, GJA1, PPM1G, RTCA, THRA, THRB
RNA polymerase II transcription regulator complex 2 THRA, THRB
Cell membrane 3 ABCG2, GJA1, PTGIR
Lipid-anchor 1 PPM1G
Multi-pass membrane protein 3 ABCG2, GJA1, PTGIR
cell junction 1 GJA1
cell surface 1 PVR
Golgi apparatus 2 ALB, GJA1
Golgi membrane 1 GJA1
mitochondrial inner membrane 1 CYP1A1
plasma membrane 4 ABCG2, GJA1, PTGIR, PVR
Membrane 4 ABCG2, PPM1G, PTGIR, PVR
apical plasma membrane 2 ABCG2, GJA1
extracellular exosome 3 ALB, TTR, VWF
endoplasmic reticulum 3 ALB, GJA1, VWF
extracellular space 5 ALB, PVR, TG, TTR, VWF
adherens junction 1 PVR
gap junction 1 GJA1
intercalated disc 1 GJA1
mitochondrion 2 CYP1A1, GJA1
protein-containing complex 2 AHR, ALB
intracellular membrane-bounded organelle 2 CYP1A1, GJA1
Microsome membrane 1 CYP1A1
Secreted 4 ALB, TG, TTR, VWF
extracellular region 4 ALB, TG, TTR, VWF
Single-pass membrane protein 1 PVR
anchoring junction 1 ALB
transcription regulator complex 1 AHR
Secreted, extracellular space, extracellular matrix 1 VWF
Apical cell membrane 1 ABCG2
Mitochondrion inner membrane 1 CYP1A1
Membrane raft 2 ABCG2, GJA1
focal adhesion 2 GJA1, PVR
extracellular matrix 1 VWF
collagen-containing extracellular matrix 1 VWF
Cell junction, gap junction 1 GJA1
connexin complex 1 GJA1
contractile muscle fiber 1 GJA1
fascia adherens 1 GJA1
intermediate filament 1 GJA1
lateral plasma membrane 1 GJA1
ciliary basal body 1 ALB
chromatin 4 AHR, FLI1, THRA, THRB
centriole 1 ALB
brush border membrane 1 ABCG2
spindle pole 1 ALB
blood microparticle 1 ALB
aryl hydrocarbon receptor complex 1 AHR
Nucleus, nucleoplasm 1 RTCA
Golgi-associated vesicle membrane 1 GJA1
platelet alpha granule 1 VWF
endoplasmic reticulum lumen 1 ALB
platelet alpha granule lumen 2 ALB, VWF
tight junction 1 GJA1
azurophil granule lumen 1 TTR
external side of apical plasma membrane 1 ABCG2
cell-cell contact zone 1 GJA1
Weibel-Palade body 1 VWF
[Isoform Alpha-2]: Cytoplasm 1 THRA
nuclear aryl hydrocarbon receptor complex 1 AHR
cytosolic aryl hydrocarbon receptor complex 1 AHR
ciliary transition fiber 1 ALB


文献列表

  • Lydia Kuhnert, Mery Giantin, Mauro Dacasto, Sandra Halwachs, Walther Honscha. AhR-activating pesticides increase the bovine ABCG2 efflux activity in MDCKII-bABCG2 cells. PloS one. 2020; 15(8):e0237163. doi: 10.1371/journal.pone.0237163. [PMID: 32764792]
  • 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]
  • Alicja B Veselá, Helena Pelantová, Miroslav Sulc, Martina Macková, Petra Lovecká, Markéta Thimová, Fabrizia Pasquarelli, Martina Pičmanová, Miroslav Pátek, Tek Chand Bhalla, Ludmila Martínková. Biotransformation of benzonitrile herbicides via the nitrile hydratase-amidase pathway in rhodococci. Journal of industrial microbiology & biotechnology. 2012 Dec; 39(12):1811-9. doi: 10.1007/s10295-012-1184-z. [PMID: 22922990]
  • Sakura Akiyoshi, Gobun Sai, Kiyoshi Yamauchi. Species-dependent effects of the phenolic herbicide ioxynil with potential thyroid hormone disrupting activity: modulation of its cellular uptake and activity by interaction with serum thyroid hormone-binding proteins. Journal of environmental sciences (China). 2012; 24(5):949-55. doi: 10.1016/s1001-0742(11)60819-x. [PMID: 22893975]
  • Olena Kalinina, Simon L Zeller, Bernhard Schmid. Competitive performance of transgenic wheat resistant to powdery mildew. PloS one. 2011; 6(11):e28091. doi: 10.1371/journal.pone.0028091. [PMID: 22132219]
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  • A B Veselá, M Franc, H Pelantová, D Kubác, V Vejvoda, M Sulc, T C Bhalla, M Macková, P Lovecká, P Janů, K Demnerová, L Martínková. Hydrolysis of benzonitrile herbicides by soil actinobacteria and metabolite toxicity. Biodegradation. 2010 Sep; 21(5):761-70. doi: 10.1007/s10532-010-9341-4. [PMID: 20204468]
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  • Simon L Zeller, Olena Kalinina, Susanne Brunner, Beat Keller, Bernhard Schmid. Transgene x environment interactions in genetically modified wheat. PloS one. 2010 Jul; 5(7):e11405. doi: 10.1371/journal.pone.0011405. [PMID: 20635001]
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  • Itzhak Ohad, Hagai Raanan, Nir Keren, Dan Tchernov, Aaron Kaplan. Light-induced changes within photosystem II protects Microcoleus sp. in biological desert sand crusts against excess light. PloS one. 2010 Jun; 5(6):e11000. doi: 10.1371/journal.pone.0011000. [PMID: 20544016]
  • M Caldow, M Sharman, M Kelly, J Day, S Hird, J A Tarbin. Multi-residue determination of phenolic and salicylanilide anthelmintics and related compounds in bovine kidney by liquid chromatography-tandem mass spectrometry. Journal of chromatography. A. 2009 Nov; 1216(46):8200-5. doi: 10.1016/j.chroma.2009.04.008. [PMID: 19426989]
  • Jeffrey J Coleman, Steve D Rounsley, Marianela Rodriguez-Carres, Alan Kuo, Catherine C Wasmann, Jane Grimwood, Jeremy Schmutz, Masatoki Taga, Gerard J White, Shiguo Zhou, David C Schwartz, Michael Freitag, Li-Jun Ma, Etienne G J Danchin, Bernard Henrissat, Pedro M Coutinho, David R Nelson, Dave Straney, Carolyn A Napoli, Bridget M Barker, Michael Gribskov, Martijn Rep, Scott Kroken, István Molnár, Christopher Rensing, John C Kennell, Jorge Zamora, Mark L Farman, Eric U Selker, Asaf Salamov, Harris Shapiro, Jasmyn Pangilinan, Erika Lindquist, Casey Lamers, Igor V Grigoriev, David M Geiser, Sarah F Covert, Esteban Temporini, Hans D Vanetten. The genome of Nectria haematococca: contribution of supernumerary chromosomes to gene expansion. PLoS genetics. 2009 Aug; 5(8):e1000618. doi: 10.1371/journal.pgen.1000618. [PMID: 19714214]
  • Isabel Morgado, Marco A Campinho, Rita Costa, Rita Jacinto, Deborah M Power. Disruption of the thyroid system by diethylstilbestrol and ioxynil in the sea bream (Sparus aurata). Aquatic toxicology (Amsterdam, Netherlands). 2009 May; 92(4):271-80. doi: 10.1016/j.aquatox.2009.02.015. [PMID: 19375178]
  • Ryoji Eguchi, Akinori Ishihara, Kiyoshi Yamauchi. Interaction of diethylstilbestrol and ioxynil with transthyretin in chicken serum. Comparative biochemistry and physiology. Toxicology & pharmacology : CBP. 2008 Apr; 147(3):345-50. doi: 10.1016/j.cbpc.2008.01.002. [PMID: 18243807]
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  • Akinori Ishihara, Norihito Nishiyama, Shin-ichiro Sugiyama, Kiyoshi Yamauchi. The effect of endocrine disrupting chemicals on thyroid hormone binding to Japanese quail transthyretin and thyroid hormone receptor. General and comparative endocrinology. 2003 Oct; 134(1):36-43. doi: 10.1016/s0016-6480(03)00197-7. [PMID: 13129501]
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