Benzisothiazolone (BioDeep_00000397729)

   


代谢物信息卡片


1,2-Benzisothiazol-3(2H)-one

化学式: C7H5NOS (151.009184)
中文名称: 1,2-苯并异噻唑啉-3-酮(BIT)
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: c12c(cccc2)s[nH]c1=O
InChI: InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

描述信息

D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
D000890 - Anti-Infective Agents
D004202 - Disinfectants
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3188; ORIGINAL_PRECURSOR_SCAN_NO 3185
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3184; ORIGINAL_PRECURSOR_SCAN_NO 3180
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3180; ORIGINAL_PRECURSOR_SCAN_NO 3177
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3256; ORIGINAL_PRECURSOR_SCAN_NO 3253
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3187; ORIGINAL_PRECURSOR_SCAN_NO 3183
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6732; ORIGINAL_PRECURSOR_SCAN_NO 6728
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6754; ORIGINAL_PRECURSOR_SCAN_NO 6749
CONFIDENCE standard compound; INTERNAL_ID 330; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6795; ORIGINAL_PRECURSOR_SCAN_NO 6792
CONFIDENCE standard compound; INTERNAL_ID 2862
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1058
CONFIDENCE standard compound; EAWAG_UCHEM_ID 301

同义名列表

5 个代谢物同义名

1,2-Benzisothiazol-3(2H)-one; Benzisothiazolone; 1,2-Benzisothiazolin-3-one; 1,2-Benzisothiazolinone; Benzisothiazolone (BIT)



数据库引用编号

43 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

  • Fang Wang, Longfeng Wei, Meiting Guo, Wansheng Yang, Zhu Li, Deyu Hu, Ping Lu. Insights of microbial community evolution under benzisothiazolinone exposure in different soil environments. Chemosphere. 2022 Nov; 307(Pt 2):135868. doi: 10.1016/j.chemosphere.2022.135868. [PMID: 35932925]
  • Claire P Muerdter, Megan M Powers, Sraboni Chowdhury, Alyssa L Mianecki, Gregory H LeFevre. Rapid plant uptake of isothiazolinone biocides and formation of metabolites by hydroponic Arabidopsis. Environmental science. Processes & impacts. 2022 Oct; 24(10):1735-1747. doi: 10.1039/d2em00178k. [PMID: 35943051]
  • Melissa M Goggin, Cheng-Min Tann, Anna Miller, An Nguyen, Gregory C Janis. Catching Fakes: New Markers of Urine Sample Validity and Invalidity. Journal of analytical toxicology. 2017 Mar; 41(2):121-126. doi: 10.1093/jat/bkw119. [PMID: 27881620]
  • Céline Gasnier, Nora Benachour, Emilie Clair, Carine Travert, Frédéric Langlois, Claire Laurant, Cécile Decroix-Laporte, Gilles-Eric Séralini. Dig1 protects against cell death provoked by glyphosate-based herbicides in human liver cell lines. Journal of occupational medicine and toxicology (London, England). 2010 Oct; 5(?):29. doi: 10.1186/1745-6673-5-29. [PMID: 20979644]
  • Astrid Rafoth, Sabine Gabriel, Frank Sacher, Heinz-Jürgen Brauch. Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry. Journal of chromatography. A. 2007 Sep; 1164(1-2):74-81. doi: 10.1016/j.chroma.2007.07.040. [PMID: 17681349]
  • B Meding, M Ahman, A T Karlberg. Skin symptoms and contact allergy in woodwork teachers. Contact dermatitis. 1996 Mar; 34(3):185-90. doi: 10.1111/j.1600-0536.1996.tb02171.x. [PMID: 8833462]