3-Nitrobenzoic acid (BioDeep_00000412976)

   


代谢物信息卡片


3-Nitrobenzoic acid

化学式: C7H5NO4 (167.021857)
中文名称: 间硝基苯甲酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 740; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3553; ORIGINAL_PRECURSOR_SCAN_NO 3552
CONFIDENCE standard compound; INTERNAL_ID 740; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3559; ORIGINAL_PRECURSOR_SCAN_NO 3558
CONFIDENCE standard compound; INTERNAL_ID 740; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3571; ORIGINAL_PRECURSOR_SCAN_NO 3570
CONFIDENCE standard compound; INTERNAL_ID 740; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3551; ORIGINAL_PRECURSOR_SCAN_NO 3550
CONFIDENCE standard compound; INTERNAL_ID 740; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3569; ORIGINAL_PRECURSOR_SCAN_NO 3568
CONFIDENCE standard compound; INTERNAL_ID 740; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3589; ORIGINAL_PRECURSOR_SCAN_NO 3588
CONFIDENCE standard compound; INTERNAL_ID 473; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3659; ORIGINAL_PRECURSOR_SCAN_NO 3658
CONFIDENCE standard compound; INTERNAL_ID 473; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3675; ORIGINAL_PRECURSOR_SCAN_NO 3674
CONFIDENCE standard compound; INTERNAL_ID 473; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3643; ORIGINAL_PRECURSOR_SCAN_NO 3642
CONFIDENCE standard compound; INTERNAL_ID 473; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3668; ORIGINAL_PRECURSOR_SCAN_NO 3667
CONFIDENCE standard compound; INTERNAL_ID 473; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3654; ORIGINAL_PRECURSOR_SCAN_NO 3653

同义名列表

1 个代谢物同义名

3-Nitrobenzoic acid



数据库引用编号

16 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)

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

  • Zhiqiang Hu, Richard A Ferraina, Jon F Ericson, Barth F Smets. Effect of long-term exposure, biogenic substrate presence, and electron acceptor conditions on the biodegradation of multiple substituted benzoates and phenolates. Water research. 2005 Sep; 39(15):3501-10. doi: 10.1016/j.watres.2005.06.009. [PMID: 16051311]
  • NULL. Reproductive toxicology. m-Nitrobenzoic acid. Environmental health perspectives. 1997 Feb; 105 Suppl 1(?):325-6. doi: NULL. [PMID: 9114346]
  • M M Ames, C D Selassie, L C Woodson, J A Van Loon, C Hansch, R M Weinshilboum. Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates. Journal of medicinal chemistry. 1986 Mar; 29(3):354-8. doi: 10.1021/jm00153a009. [PMID: 3950915]
  • B D'eng, A Ia Nikolaev, P Z Khasigov, N V Likhacheva, N a Zaĭtsev. [Evaluation of the hepatotoxic activity of several chlor-nitro derivatives of benzoic acid]. Voprosy meditsinskoi khimii. 1983 Nov; 29(6):113-7. doi: . [PMID: 6670217]
  • R A Scherrer, S M Howard. Use of distribution coefficients in quantitative structure-activity relationships. Journal of medicinal chemistry. 1977 Jan; 20(1):53-8. doi: 10.1021/jm00211a010. [PMID: 13215]
  • J W Mitchell, J W Wood, W C Wolfe, G W Irving. Relative Growth Rates of Bean and Oat Plants Containing Known Amounts of a Labeled Plant-Growth Regulator (2-Iodo131-3-Nitrobenzoic Acid). Science (New York, N.Y.). 1947 Oct; 106(2756):395-7. doi: 10.1126/science.106.2756.395. [PMID: 17750562]