O-TOLUENESULFONAMIDE (BioDeep_00000271603)

   


代谢物信息卡片


2-Methylbenzene-1-sulfonamide

化学式: C7H9NO2S (171.0354)
中文名称: 邻甲基苯磺胺, 邻甲苯磺酰胺
谱图信息: 最多检出来源 Anoectochilus roxburghii(viridiplantae) 86.36%

分子结构信息

SMILES: CC1=C(C=CC=C1)S(N)(=O)=O
InChI: InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4231; ORIGINAL_PRECURSOR_SCAN_NO 4229
CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4229
CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4251; ORIGINAL_PRECURSOR_SCAN_NO 4248
CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4236; ORIGINAL_PRECURSOR_SCAN_NO 4233
CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4321; ORIGINAL_PRECURSOR_SCAN_NO 4320
CONFIDENCE standard compound; INTERNAL_ID 899; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4233; ORIGINAL_PRECURSOR_SCAN_NO 4231
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3605

同义名列表

4 个代谢物同义名

2-Methylbenzene-1-sulfonamide; O-TOLUENESULFONAMIDE; 2-Toluenesulfonamide; O-Toluenesulfonamide



数据库引用编号

30 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。

亚细胞结构定位 关联基因列表


文献列表

  • Hyejin Lee, Seong Won Cho, Seon Jeong Kim, Jaesang Lee, Keun Su Kim, Inho Kim, Jong-Keuk Park, Joon Young Kwak, Jaewook Kim, Jongkil Park, YeonJoo Jeong, Gyu Weon Hwang, Kyeong-Seok Lee, Daniele Ielmini, Suyoun Lee. Three-Terminal Ovonic Threshold Switch (3T-OTS) with Tunable Threshold Voltage for Versatile Artificial Sensory Neurons. Nano letters. 2022 01; 22(2):733-739. doi: 10.1021/acs.nanolett.1c04125. [PMID: 35025519]
  • Doreen Richter, Gudrun Massmann, Thomas Taute, Uwe Duennbier. Investigation of the fate of sulfonamides downgradient of a decommissioned sewage farm near Berlin, Germany. Journal of contaminant hydrology. 2009 May; 106(3-4):183-94. doi: 10.1016/j.jconhyd.2009.03.001. [PMID: 19371963]
  • Doreen Richter, Gudrun Massmann, Uwe Dünnbier. Behaviour and biodegradation of sulfonamides (p-TSA, o-TSA, BSA) during drinking water treatment. Chemosphere. 2008 Apr; 71(8):1574-81. doi: 10.1016/j.chemosphere.2007.11.026. [PMID: 18179813]
  • Qingfu Ye, Jinhe Sun, Jianmin Wu. Causes of phytotoxicity of metsulfuron-methyl bound residues in soil. Environmental pollution (Barking, Essex : 1987). 2003; 126(3):417-23. doi: 10.1016/s0269-7491(03)00233-1. [PMID: 12963305]
  • B M Hausen, M Milbrodt, W A Koenig. The allergens of nail polish. (I). Allergenic constituents of common nail polish and toluenesulfonamide-formaldehyde resin (TS-F-R). Contact dermatitis. 1995 Sep; 33(3):157-64. doi: 10.1111/j.1600-0536.1995.tb00537.x. [PMID: 8565455]
  • J Hooson, R M Hicks, P Grasso, J Chowaniec. Ortho-toluene sulphonamide and saccharin in the promotion of bladder cancer in the rat. British journal of cancer. 1980 Jul; 42(1):129-47. doi: 10.1038/bjc.1980.211. [PMID: 7426324]