Terbutryn (BioDeep_00000001185)

 

Secondary id: BioDeep_00000397731

human metabolite blood metabolite Industrial Pollutants


代谢物信息卡片


N-(1,1-Dimethylethyl)-n-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine

化学式: C10H19N5S (241.1361)
中文名称: 去草净, 特丁净
谱图信息: 最多检出来源 Viridiplantae(plant) 51.97%

分子结构信息

SMILES: CCN=C1N=C(NC(C)(C)C)NC(SC)=N1
InChI: InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8639; ORIGINAL_PRECURSOR_SCAN_NO 8638
CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8575; ORIGINAL_PRECURSOR_SCAN_NO 8573
CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8603; ORIGINAL_PRECURSOR_SCAN_NO 8600
CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8657; ORIGINAL_PRECURSOR_SCAN_NO 8652
CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8686; ORIGINAL_PRECURSOR_SCAN_NO 8681
CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8611; ORIGINAL_PRECURSOR_SCAN_NO 8609
CONFIDENCE standard compound; INTERNAL_ID 2863
CONFIDENCE standard compound; INTERNAL_ID 8794
D010575 - Pesticides > D006540 - Herbicides
D016573 - Agrochemicals

同义名列表

17 个代谢物同义名

N-(1,1-Dimethylethyl)-n-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine; N2-tert-butyl-N4-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine; N(2)-Tert-butyl-N(4)-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine; N-(Tert-butyl)-n-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine; 2-(Tert-butylamino)-4-(ethylamino)-6-(methylthio)-S-triazine; 2-ethylamino-6-methylthio-4-Tert-butylamino-1,3, 5-triazine; 2-Tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine; 2-(Tert-butylamino)-4-(ethylamino)-6-(methylthio)triazine; 2-T-BUTYLAMINO-4-ethylamino-6-methylthio-S-triazine; Terbutryne; Terbutrin; shortstop; Terbutryn; Clarosan; TB; Terbutryn; Terbutryne



数据库引用编号

26 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 9 AHR, ARHGAP45, ERBB2, FABP1, FOXK2, IGF2BP3, OLIG2, PHB1, PTP4A2
Endosome membrane 1 ERBB2
Endoplasmic reticulum membrane 3 CYP1A2, FMO3, POR
Nucleus 11 AHR, CIPC, ERBB2, FABP1, FOXK2, IGF2BP3, OLIG2, PHB1, PLCZ1, PTP4A2, SLC25A11
cytosol 10 AHR, ARHGAP45, CIPC, ERBB2, FABP1, IGF2BP3, PLCZ1, POR, PRKCQ, PTP4A2
nucleoplasm 7 AHR, CIPC, ERBB2, FABP1, FOXK2, PHB1, PLCZ1
Cell membrane 3 CTLA4, ERBB2, PHB1
Cytoplasmic side 1 POR
ruffle membrane 2 ARHGAP45, ERBB2
Multi-pass membrane protein 2 SLC25A11, TPRA1
cell surface 2 PHB1, TPO
Golgi apparatus 1 CTLA4
mitochondrial inner membrane 2 PHB1, SLC25A11
neuromuscular junction 1 ERBB2
presynaptic membrane 1 ERBB2
Cytoplasm, cytosol 1 CIPC
plasma membrane 9 ARHGAP45, CTLA4, ERBB2, PHB1, PRKCQ, PTP4A2, SLC25A11, TPO, TPRA1
Membrane 7 ARHGAP45, ERBB2, PHB1, POR, SLC25A11, TPO, TPRA1
apical plasma membrane 1 ERBB2
basolateral plasma membrane 1 ERBB2
extracellular exosome 2 FABP1, PHB1
endoplasmic reticulum 2 FMO3, POR
extracellular space 2 PRSS29P, TPO
perinuclear region of cytoplasm 3 CTLA4, ERBB2, PLCZ1
mitochondrion 3 FOXK2, PHB1, SLC25A11
protein-containing complex 2 AHR, FABP1
intracellular membrane-bounded organelle 4 CYP1A2, FMO3, FOXK2, POR
Microsome membrane 2 CYP1A2, FMO3
pronucleus 1 PLCZ1
Single-pass type I membrane protein 3 CTLA4, ERBB2, TPO
Secreted 1 PRSS29P
extracellular region 2 ARHGAP45, ERBB2
Single-pass membrane protein 2 FMO3, POR
transcription regulator complex 1 AHR
centriolar satellite 1 PRKCQ
external side of plasma membrane 1 CTLA4
cytoplasmic vesicle 1 ERBB2
nucleolus 2 CIPC, PLCZ1
Cytoplasm, P-body 1 IGF2BP3
P-body 1 IGF2BP3
Early endosome 3 ERBB2, PHB1, PTP4A2
Cell projection, ruffle membrane 2 ARHGAP45, ERBB2
Cytoplasm, perinuclear region 2 ERBB2, PLCZ1
Mitochondrion inner membrane 2 PHB1, SLC25A11
peroxisomal matrix 1 FABP1
receptor complex 1 ERBB2
chromatin 3 AHR, FOXK2, OLIG2
aryl hydrocarbon receptor complex 1 AHR
Cytoplasm, Stress granule 1 IGF2BP3
cytoplasmic stress granule 1 IGF2BP3
myelin sheath 1 ERBB2
basal plasma membrane 1 ERBB2
secretory granule lumen 1 ARHGAP45
azurophil granule lumen 1 ARHGAP45
immunological synapse 1 PRKCQ
aggresome 1 PRKCQ
clathrin-coated endocytic vesicle 1 CTLA4
semaphorin receptor complex 1 ERBB2
[Isoform 1]: Cell membrane 1 ERBB2
sperm head 1 PLCZ1
ERBB3:ERBB2 complex 1 ERBB2
apical cortex 1 FABP1
protein complex involved in cell adhesion 1 CTLA4
nuclear aryl hydrocarbon receptor complex 1 AHR
mitochondrial prohibitin complex 1 PHB1
cytosolic aryl hydrocarbon receptor complex 1 AHR


文献列表

  • László Nagy, Vladimir Kiss, Vlad Brumfeld, Károly Osvay, Ádám Börzsönyi, Melinda Magyar, Tibor Szabó, Márta Dorogi, Shmuel Malkin. Thermal Effects and Structural Changes of Photosynthetic Reaction Centers Characterized by Wide Frequency Band Hydrophone: Effects of Carotenoids and Terbutryn. Photochemistry and photobiology. 2015 Nov; 91(6):1368-75. doi: 10.1111/php.12511. [PMID: 26277346]
  • Agnessa Luft, Manfred Wagner, Thomas A Ternes. Transformation of biocides irgarol and terbutryn in the biological wastewater treatment. Environmental science & technology. 2014; 48(1):244-54. doi: 10.1021/es403531d. [PMID: 24328195]
  • Massimo Moretti, Roberta Bonfiglioli, Donatella Feretti, Sofia Pavanello, Francesca Mussi, Maria G Grollino, Milena Villarini, Anna Barbieri, Elisabetta Ceretti, Mariella Carrieri, Annamaria Buschini, Massimo Appolloni, Luca Dominici, Laura Sabatini, Umberto Gelatti, Giovanni B Bartolucci, Paola Poli, Laura Stronati, Giuseppe Mastrangelo, Silvano Monarca. A study protocol for the evaluation of occupational mutagenic/carcinogenic risks in subjects exposed to antineoplastic drugs: a multicentric project. BMC public health. 2011 Mar; 11(?):195. doi: 10.1186/1471-2458-11-195. [PMID: 21450074]
  • Andrea Ventrella, Lucia Catucci, Angela Agostiano. Herbicides affect fluorescence and electron transfer activity of spinach chloroplasts, thylakoid membranes and isolated Photosystem II. Bioelectrochemistry (Amsterdam, Netherlands). 2010 Aug; 79(1):43-9. doi: 10.1016/j.bioelechem.2009.10.008. [PMID: 19962947]
  • E Pitarch, T Portolés, J M Marín, M Ibáñez, F Albarrán, F Hernández. Analytical strategy based on the use of liquid chromatography and gas chromatography with triple-quadrupole and time-of-flight MS analyzers for investigating organic contaminants in wastewater. Analytical and bioanalytical chemistry. 2010 Aug; 397(7):2763-76. doi: 10.1007/s00216-010-3692-x. [PMID: 20428853]
  • J Velisek, E Sudova, J Machova, Z Svobodova. Effects of sub-chronic exposure to terbutryn in common carp (Cyprinus carpio L.). Ecotoxicology and environmental safety. 2010 Mar; 73(3):384-90. doi: 10.1016/j.ecoenv.2009.10.005. [PMID: 19906425]
  • Lucie Plhalova, Stanislava Macova, Ivana Haluzova, Andrea Slaninova, Petra Dolezelova, Petr Marsalek, Vladimira Pistekova, Iveta Bedanova, Eva Voslarova, Zdenka Svobodova. Terbutryn toxicity to Danio rerio: effects of subchronic exposure on fish growth. Neuro endocrinology letters. 2009; 30 Suppl 1(?):242-7. doi: . [PMID: 20027178]
  • Massimo Moretti, Marco Dell'Omo, Milena Villarini, Roberta Pastorelli, Giacomo Muzi, Luisa Airoldi, Rossana Pasquini. Primary DNA damage and genetic polymorphisms for CYP1A1, EPHX and GSTM1 in workers at a graphite electrode manufacturing plant. BMC public health. 2007 Oct; 7(?):270. doi: 10.1186/1471-2458-7-270. [PMID: 17908297]
  • Ikramullah Khan, Khan Bahadar Marwat, Zahid Hussain. Chemical weed management in wheat at higher altitudes. Communications in agricultural and applied biological sciences. 2007; 72(2):259-64. doi: . [PMID: 18399449]
  • Wen Yi Hua, Erin R Bennett, Xui-Sheng Maio, Chris D Metcalfe, Robert J Letcher. Seasonality effects on pharmaceuticals and s-triazine herbicides in wastewater effluent and surface water from the Canadian side of the upper Detroit River. Environmental toxicology and chemistry. 2006 Sep; 25(9):2356-65. doi: 10.1897/05-571r.1. [PMID: 16986790]
  • Cafer Turgut. Uptake and modeling of pesticides by roots and shoots of parrotfeather (Myriophyllum aquaticum). Environmental science and pollution research international. 2005 Nov; 12(6):342-6. doi: 10.1065/espr2005.05.256. [PMID: 16305140]
  • Raquel Sanchez, Ana Vázquez, David Riquelme, Jesús Villén. Direct analysis of pesticide residues in olive oil by on-line reversed phase liquid chromatography-gas chromatography using an automated through oven transfer adsorption desorption (TOTAD) interface. Journal of agricultural and food chemistry. 2003 Oct; 51(21):6098-102. doi: 10.1021/jf030182r. [PMID: 14518929]
  • Uzma Maqbool, Anwar-ul-Haq, M Jamil Qureshi, M Zafar Iqbal, B Hock, K Kramer. Development of ELISA technique for the analysis of atrazine residues in water. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes. 2002 Jul; 37(4):307-22. doi: 10.1081/pfc-120004472. [PMID: 12081023]
  • J Xiong, R S Hutchison, R T Sayre, Govindjee. Modification of the photosystem II acceptor side function in a D1 mutant (arginine-269-glycine) of Chlamydomonas reinhardti. Biochimica et biophysica acta. 1997 Nov; 1322(1):60-76. doi: 10.1016/s0005-2728(97)00063-7. [PMID: 9398079]
  • E Ghinea, L Simionescu, M Oprescu. Studies on the action of pesticides upon the endocrines using in vitro human thyroid cells culture and in vivo animal models. II. Herbicides-prometrin and terbutrin. Endocrinologie. 1980 Jul; 18(3):167-73. doi: . [PMID: 7433862]
  • G H Larsen, J E Bakke. Mass spectral characterization of the glucuronide conjugates of terbutryn (2-(t-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine) metabolites from rats and goat. Biomedical mass spectrometry. 1978 Jun; 5(6):391-4. doi: 10.1002/bms.1200050605. [PMID: 678608]