Butralin (BioDeep_00000001918)

 

Secondary id: BioDeep_00001867880

human metabolite blood metabolite Volatile Flavor Compounds


代谢物信息卡片


N-(butan-2-yl)-4-tert-butyl-2,6-dinitroaniline

化学式: C14H21N3O4 (295.1531986)
中文名称: 丁烯酯甲酸
谱图信息: 最多检出来源 Homo sapiens(blood) 2.5%

分子结构信息

SMILES: CCC(C)NC1=C(C=C(C=C1N(=O)=O)C(C)(C)C)N(=O)=O
InChI: InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10587; ORIGINAL_PRECURSOR_SCAN_NO 10584
CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10578; ORIGINAL_PRECURSOR_SCAN_NO 10575
CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10538; ORIGINAL_PRECURSOR_SCAN_NO 10536
CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10568; ORIGINAL_PRECURSOR_SCAN_NO 10564
CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10608; ORIGINAL_PRECURSOR_SCAN_NO 10604
CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10617; ORIGINAL_PRECURSOR_SCAN_NO 10612

同义名列表

4 个代谢物同义名

N-(butan-2-yl)-4-tert-butyl-2,6-dinitroaniline; N-Sec-butyl-4-tert-butyl-2,6-dinitroaniline; BUTRALIN; Butralin



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。



文献列表

  • Amel A Refaie, Aziza B Shalby, Salwa M Kassem, Wagdy K B Khalil. DNA Damage and Expression Profile of Genes Associated with Nephrotoxicity Induced by Butralin and Ameliorating Effect of Arabic Gum in Female Rats. Applied biochemistry and biotechnology. 2021 Nov; 193(11):3454-3468. doi: 10.1007/s12010-021-03607-8. [PMID: 34240313]
  • Amel A Refaie, Amal Ramadan, Nevien M Sabry, Wagdy K B Khalil, Abdel-Tawab H Mossa. Over-gene expression in the apoptotic, oxidative damage and liver injure in female rats exposed to butralin. Environmental science and pollution research international. 2020 Sep; 27(25):31383-31393. doi: 10.1007/s11356-020-09416-6. [PMID: 32488703]
  • Lihua Yang, Xiangxiang Song, Xuguo Zhou, Yuzhou Zhou, Yaoyu Zhou, Daoxin Gong, Haifeng Luo, Yaocheng Deng, Danxin Yang, Ling Chen. Residual behavior and risk assessment of butralin in peanut fields. Environmental monitoring and assessment. 2019 Dec; 192(1):62. doi: 10.1007/s10661-019-8013-z. [PMID: 31865452]
  • Congdi Li, Rong Liu, Li Li, Wei Li, Yujian He, Longfei Yuan. Dissipation behavior and risk assessment of butralin in soybean and soil under field conditions. Environmental monitoring and assessment. 2017 Aug; 189(9):476. doi: 10.1007/s10661-017-6185-y. [PMID: 28852899]
  • Kaoru Kimura, Kazuhito Yokoyama, Hajime Sato, Rusli Bin Nordin, Lin Naing, Satoshi Kimura, Shingo Okabe, Takashi Maeno, Yasuki Kobayashi, Fumihiko Kitamura, Shunichi Araki. Effects of pesticides on the peripheral and central nervous system in tobacco farmers in Malaysia: studies on peripheral nerve conduction, brain-evoked potentials and computerized posturography. Industrial health. 2005 Apr; 43(2):285-94. doi: 10.2486/indhealth.43.285. [PMID: 15895843]
  • Hongxia Liu, Chenghua Ding, Shusheng Zhang, Huimin Liu, Xincheng Liao, Lingbo Qu, Yufen Zhao, Yangjie Wu. Simultaneous residue measurement of pendimethalin, isopropalin, and butralin in tobacco using high-performance liquid chromatography with ultraviolet detection and electrospray ionization/mass spectrometric identification. Journal of agricultural and food chemistry. 2004 Nov; 52(23):6912-5. doi: 10.1021/jf0488965. [PMID: 15537295]
  • K C Wang, W Q Yang, Z Y Wang. [Chemical weed control of medicinal plant Bupleurum falcatum L]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2000 Apr; 25(4):210-3. doi: ". [PMID: 12512434]
  • E Yamamoto, L Zeng, W V Baird. Alpha-tubulin missense mutations correlate with antimicrotubule drug resistance in Eleusine indica. The Plant cell. 1998 Feb; 10(2):297-308. doi: 10.1105/tpc.10.2.297. [PMID: 9490751]
  • T R Edgerton, W Scott, R E Linder. Methodology for the determination of dinitroaniline herbicides in tissue and excreta. Journal of analytical toxicology. 1985 Jan; 9(1):15-9. doi: 10.1093/jat/9.1.15. [PMID: 3981970]