5-Chlorosalicylanilide (BioDeep_00000413196)
代谢物信息卡片
化学式: C13H10ClNO2 (247.040003)
中文名称: 5-氯水杨酰苯胺
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI: InChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
描述信息
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4680; ORIGINAL_PRECURSOR_SCAN_NO 4677
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4719
ORIGINAL_ACQUISITION_NO 4721; CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4719
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4704; ORIGINAL_PRECURSOR_SCAN_NO 4701
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4699; ORIGINAL_PRECURSOR_SCAN_NO 4697
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4708; ORIGINAL_PRECURSOR_SCAN_NO 4706
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4715; ORIGINAL_PRECURSOR_SCAN_NO 4713
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相关代谢途径
Reactome(0)
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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)
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
- Taotao Lu, Xinyu Zheng, Fei Mao, Qiao Cao, Qin Cao, Jin Zhu, Xiaokang Li, Lefu Lan, Baoli Li, Jian Li. Novel niclosamide-derived adjuvants elevating the efficacy of polymyxin B against MDR Pseudomonas aeruginosa DK2.
European journal of medicinal chemistry.
2022 Jun; 236(?):114318. doi:
10.1016/j.ejmech.2022.114318. [PMID: 35398731] - Robert A Mook, Jiangbo Wang, Xiu-Rong Ren, Minyong Chen, Ivan Spasojevic, Larry S Barak, H Kim Lyerly, Wei Chen. Structure-activity studies of Wnt/β-catenin inhibition in the Niclosamide chemotype: Identification of derivatives with improved drug exposure.
Bioorganic & medicinal chemistry.
2015 Sep; 23(17):5829-38. doi:
10.1016/j.bmc.2015.07.001. [PMID: 26272032]