Pyrithiobac (BioDeep_00000271170)
代谢物信息卡片
化学式: C13H11ClN2O4S (326.01280360000004)
中文名称: 2-氯-6-(4,6-二甲氧嘧啶-2-硫基)苯甲酸
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)O)OC
InChI: InChI=1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)
描述信息
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4676; ORIGINAL_PRECURSOR_SCAN_NO 4672
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4673; ORIGINAL_PRECURSOR_SCAN_NO 4671
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4704; ORIGINAL_PRECURSOR_SCAN_NO 4702
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4691; ORIGINAL_PRECURSOR_SCAN_NO 4686
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4777; ORIGINAL_PRECURSOR_SCAN_NO 4775
ORIGINAL_ACQUISITION_NO 4777; CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4775
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4684; ORIGINAL_PRECURSOR_SCAN_NO 4679
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9063; ORIGINAL_PRECURSOR_SCAN_NO 9062
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9090; ORIGINAL_PRECURSOR_SCAN_NO 9088
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9119; ORIGINAL_PRECURSOR_SCAN_NO 9117
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9108; ORIGINAL_PRECURSOR_SCAN_NO 9106
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9136; ORIGINAL_PRECURSOR_SCAN_NO 9132
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代谢反应
0 个相关的代谢反应过程信息。
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0 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
- Ren-Jun Wu, Kai-Xuan Zhou, Haijin Yang, Guo-Qing Song, Yong-Hong Li, Jia-Xin Fu, Xiao Zhang, Shu-Jing Yu, Li-Zhong Wang, Li-Xia Xiong, Cong-Wei Niu, Fu-Hang Song, Haitao Yang, Jian-Guo Wang. Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives.
European journal of medicinal chemistry.
2019 Apr; 167(?):472-484. doi:
10.1016/j.ejmech.2019.02.002. [PMID: 30784880] - Nikolaos S Kaloumenos, Vasiliki N Adamouli, Christos A Dordas, Ilias G Eleftherohorinos. Corn poppy (Papaver rhoeas) cross-resistance to ALS-inhibiting herbicides.
Pest management science.
2011 May; 67(5):574-85. doi:
10.1002/ps.2104. [PMID: 21308964] - Julie Laplante, Istvan Rajcan, François J Tardif. Multiple allelic forms of acetohydroxyacid synthase are responsible for herbicide resistance in Setaria viridis.
TAG. Theoretical and applied genetics. Theoretische und angewandte Genetik.
2009 Aug; 119(4):577-85. doi:
10.1007/s00122-009-1067-5. [PMID: 19495723]