4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol (BioDeep_00000002149)

 

Secondary id: BioDeep_00001868457

human metabolite


代谢物信息卡片


4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine

化学式: C8H15N5O (197.1277)
中文名称: 2-羟基莠去津
谱图信息: 最多检出来源 Homo sapiens(natural_products) 6.48%

分子结构信息

SMILES: c1(nc(nc(n1)O)NCC)NC(C)C
InChI: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)

描述信息

4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol, also known as 2-Hydroxyatrazine, is classified as a member of the 1,3,5-triazines. 1,3,5-triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5. 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol is considered to be practically insoluble (in water) and relatively neutral
CONFIDENCE standard compound; EAWAG_UCHEM_ID 279
CONFIDENCE standard compound; INTERNAL_ID 8441
CONFIDENCE standard compound; INTERNAL_ID 2550
KEIO_ID A196

同义名列表

10 个代谢物同义名

4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine; 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol; 2-Hydroxy-4-(ethylamino)-6-(isopropylamino)-S-triazine; 4-(Ethylamino)-6-(isopropylamino)-S-triazin-2-ol; 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol; Hydroxydechloroatrazine; atrazine-2-hydroxy; 2-Hydroxyatrazine; Hydroxyatrazine; Hydroxyatrazine



数据库引用编号

51 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

3 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(3)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

2 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

  • Natália Neuwirthová, Zuzana Bílková, Jana Vašíčková, Jakub Hofman, Lucie Bielská. Concentration/time-dependent dissipation, partitioning and plant accumulation of hazardous current-used pesticides and 2-hydroxyatrazine in sand and soil. Chemosphere. 2018 Jul; 203(?):219-227. doi: 10.1016/j.chemosphere.2018.03.177. [PMID: 29621678]
  • Tammy E Stoker, Daniel R Hallinger, John C Seely, Leah M Zorrilla. Evaluation of hydroxyatrazine in the endocrine disruptor screening and testing program's male and female pubertal protocols. Birth defects research. Part B, Developmental and reproductive toxicology. 2013 Oct; 98(5):428-35. doi: 10.1002/bdrb.21086. [PMID: 24323408]
  • Dana B Barr, Parinya Panuwet, Johnny V Nguyen, Simeon Udunka, Larry L Needham. Assessing exposure to atrazine and its metabolites using biomonitoring. Environmental health perspectives. 2007 Oct; 115(10):1474-8. doi: 10.1289/ehp.10141. [PMID: 17938738]