Prometryn (BioDeep_00000001174)

human metabolite blood metabolite

代谢物信息卡片

N-[4-(methylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine

化学式: C10H19N5S (241.13610939999998)
中文名称: 扑草净
谱图信息: 最多检出来源 Viridiplantae(plant) 0.31%

分子结构信息

SMILES: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
InChI: InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8564; ORIGINAL_PRECURSOR_SCAN_NO 8559
CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8550; ORIGINAL_PRECURSOR_SCAN_NO 8549
CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8580; ORIGINAL_PRECURSOR_SCAN_NO 8577
CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8544; ORIGINAL_PRECURSOR_SCAN_NO 8542
CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8540; ORIGINAL_PRECURSOR_SCAN_NO 8538
CONFIDENCE standard compound; INTERNAL_ID 861; 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 4037
D010575 - Pesticides > D006540 - Herbicides
D016573 - Agrochemicals

同义名列表

9 个代谢物同义名

N-[4-(methylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine; N-[4-(isopropylimino)-6-(methylsulfanyl)-3,5-dihydro-1,3,5-triazin-2-ylidene]propan-2-amine; N,N-bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine; N,N-diisopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine; 2-(Methylthio)-4,6-bis(isopropylamino)-S-triazine; 50, Gesaguard; Gesaguard 50; Prometryne; prometryn

数据库引用编号

24 个数据库交叉引用编号

ChEBI: CHEBI:26276
KEGG: C18542
PubChem: 4929
HMDB: HMDB0256805
Metlin: METLIN44589
ChEMBL: CHEMBL1880257
MeSH: Prometryne
MetaCyc: CPD-9344
chemspider: 4760
CAS: 1705649-52-0
CAS: 7287-19-6
MoNA: LU086102
MoNA: LU086103
MoNA: LU086104
MoNA: UF403701
MoNA: LU086106
MoNA: UF403702
MoNA: UF403703
MoNA: UF403704
MoNA: LU086105
MoNA: LU086101
PMhub: MS000000077
PubChem: 124489216
RefMet: Prometryn

分类词条

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

9606 Homo sapiens: -

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

Jun Tang, Jinjin Yao, Dandan Pan, Junwei Huang, Jie Wang, Qing X Li, Fengshou Dong, Xiangwei Wu. Characterization and catalytic mechanism of a direct demethylsulfide hydrolase for catabolism of the methylthiol-s-triazine prometryn. Journal of hazardous materials. 2023 03; 446(?):130708. doi: 10.1016/j.jhazmat.2022.130708. [PMID: 36608577]
Samreen, Xiaona Zhang, Jun Wang, Yuejiao Li, Xuan Li, Yuqi Zheng, Muhammad Arif, Shaoguo Ru. Environmental relevant herbicide prometryn induces developmental toxicity in the early life stages of marine medaka (Oryzias melastigma) and its potential mechanism. Aquatic toxicology (Amsterdam, Netherlands). 2022 Feb; 243(?):106079. doi: 10.1016/j.aquatox.2022.106079. [PMID: 35065453]
Laurence H Hand, Christos Gougoulias, Irene Bramke, Kevin A Thomas, Robin G Oliver. Evaluation of the Rhizosphere Contribution to the Environmental Fate of the Herbicide Prometryn. Environmental toxicology and chemistry. 2020 02; 39(2):450-457. doi: 10.1002/etc.4604. [PMID: 31569276]
Congmin Liu, Yudan Wang, Lei Zhang, Jia An Qin, Xiaowen Dou, Yanwei Fu, Qian Li, Xue Zhao, Meihua Yang. An integrated strategy for rapid on-site screening and determination of prometryn residues in herbs. Analytical and bioanalytical chemistry. 2020 Jan; 412(3):621-633. doi: 10.1007/s00216-019-02224-z. [PMID: 31907590]
J Ni, S X Sun, Y Zheng, R Datta, D Sarkar, Y M Li. Removal of prometryn from hydroponic media using marsh pennywort (Hydrocotyle vulgaris L.). International journal of phytoremediation. 2018 Jul; 20(9):909-913. doi: 10.1080/15226514.2018.1448359. [PMID: 29873532]
Junwei Liu, Dandan Pan, Xiangwei Wu, Haiyan Chen, Haiqun Cao, Qing X Li, Rimao Hua. Enhanced degradation of prometryn and other s-triazine herbicides in pure cultures and wastewater by polyvinyl alcohol-sodium alginate immobilized Leucobacter sp. JW-1. The Science of the total environment. 2018 Feb; 615(?):78-86. doi: 10.1016/j.scitotenv.2017.09.208. [PMID: 28963898]
Le-Ni Sun, Dan-Dan Pan, Xiang-Wei Wu, En-Dong Yang, Ri-Mao Hua, Qing X Li. Leucobacter triazinivorans sp. nov., a s-triazine herbicide prometryn-degrading bacterium isolated from sludge. International journal of systematic and evolutionary microbiology. 2018 Jan; 68(1):204-210. doi: 10.1099/ijsem.0.002483. [PMID: 29139349]
Kerima Boulahia, Pierre Carol, Séverine Planchais, Ouzna Abrous-Belbachir. Phaseolus vulgaris L. Seedlings Exposed to Prometryn Herbicide Contaminated Soil Trigger an Oxidative Stress Response. Journal of agricultural and food chemistry. 2016 Apr; 64(16):3150-60. doi: 10.1021/acs.jafc.6b00328. [PMID: 27019272]
S X Sun, Y M Li, Y Zheng, Y Hua, R Datta, Y M Dan, P Lv, D Sarkar. Uptake of 2,4-bis(Isopropylamino)-6-methylthio-s-triazine by Vetiver Grass (Chrysopogon zizanioides L.) from Hydroponic Media. Bulletin of environmental contamination and toxicology. 2016 Apr; 96(4):550-5. doi: 10.1007/s00128-016-1737-3. [PMID: 26810796]
Shixian Sun, Yongmei Li, Ping Lv, Pravin Punamiya, Dibyendu Sarkar, Youming Dan, Junrong Ma, Yi Zheng. Determination of Prometryn in Vetiver Grass and Water Using Gas Chromatography-Nitrogen Chemiluminescence Detection. Journal of chromatographic science. 2016 Feb; 54(2):97-102. doi: 10.1093/chromsci/bmv108. [PMID: 26250891]
Nadia M Mosiichuk, Viktor V Husak, Ivan V Maksymiv, Oksana Y Hlodan, Janet M Storey, Kenneth B Storey, Volodymyr I Lushchak. Toxicity of environmental Gesagard to goldfish may be connected with induction of low intensity oxidative stress in concentration- and tissue-related manners. Aquatic toxicology (Amsterdam, Netherlands). 2015 Aug; 165(?):249-58. doi: 10.1016/j.aquatox.2015.06.007. [PMID: 26133465]
Josef Velisek, Alzbeta Stara, Dalibor Koutnik, Jana Machova. Effects of prometryne on early life stages of common carp (Cyprinus carpio L.). Pesticide biochemistry and physiology. 2015 Feb; 118(?):58-63. doi: 10.1016/j.pestbp.2014.11.011. [PMID: 25752431]
Hailan Jiang, Xiaoxia Deng, Jungang Wang, Jing Wang, Jun Peng, Tingting Zhou. Effects of gibberellic acid and N, N-dimethyl piperidinium chloride on the dose of and physiological responses to prometryn in black nightshade (Solanum nigrum L.). PloS one. 2014; 9(4):e93654. doi: 10.1371/journal.pone.0093654. [PMID: 24709895]
Yaping Wang, Guowen Zhang, Langhong Wang. Interaction of prometryn to human serum albumin: insights from spectroscopic and molecular docking studies. Pesticide biochemistry and physiology. 2014 Jan; 108(?):66-73. doi: 10.1016/j.pestbp.2013.12.006. [PMID: 24485317]
J Velisek, A Stara, E Zuskova, Z Svobodova. Use of biometric, hematologic, and plasma biochemical variables, and histopathology to assess the chronic effects of the herbicide prometryn on Common Carp. Veterinary clinical pathology. 2013 Dec; 42(4):508-15. doi: 10.1111/vcp.12081. [PMID: 24138459]
X Li, W Miao, C Gong, H Jiang, W Ma, S Zhu. Effects of prometryn and acetochlor on arbuscular mycorrhizal fungi and symbiotic system. Letters in applied microbiology. 2013 Aug; 57(2):122-8. doi: 10.1111/lam.12084. [PMID: 23593967]
Ji-Hai Zhou, Xiang-Wu Sun, Feng Hu, Hui-Xin Li. [Isolation, screening and identification of prometryne-degrading bacteria and their degrading characteristics]. Huan jing ke xue= Huanjing kexue. 2013 Jul; 34(7):2894-8. doi: ". [PMID: 24028029]
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