Tetrachlorobisphenol A (BioDeep_00000009956)

 

Secondary id: BioDeep_00001871639

human metabolite blood metabolite Volatile Flavor Compounds


代谢物信息卡片


2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol

化学式: C15H12Cl4O2 (363.9591372)
中文名称: 4-[(3-甲基苯基)氨基] -3-吡啶磺酰胺
谱图信息: 最多检出来源 Viridiplantae(plant) 93.75%

分子结构信息

SMILES: CC(C)(C1=CC(=C(C(=C1)Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl
InChI: InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 547; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5355; ORIGINAL_PRECURSOR_SCAN_NO 5350
CONFIDENCE standard compound; INTERNAL_ID 547; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5349; ORIGINAL_PRECURSOR_SCAN_NO 5347
CONFIDENCE standard compound; INTERNAL_ID 547; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5353; ORIGINAL_PRECURSOR_SCAN_NO 5351
CONFIDENCE standard compound; INTERNAL_ID 547; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5359; ORIGINAL_PRECURSOR_SCAN_NO 5357
CONFIDENCE standard compound; INTERNAL_ID 547; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5328; ORIGINAL_PRECURSOR_SCAN_NO 5327

同义名列表

10 个代谢物同义名

2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol; Phenol,4,4-(1-methylethylidene)bis[2,6-dichloro-; 4,4-(1-Methylethylidene)bis(2,6-dichlorophenol); 2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane; 3,3,5,5-Tetrachlorobisphenol a; 2,2,6,6-Tetrachlorobisphenol A; Tetrachlorobisphenol A; Tetrachlorodian; TCBPA CPD; Tetrachlorobisphenol A



数据库引用编号

19 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)

1 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

  • Vanessa Cheng, David C Volz. Halogenated bisphenol a analogues induce PPARγ-independent toxicity within human hepatocellular carcinoma cells. Current research in toxicology. 2022; 3(?):100079. doi: 10.1016/j.crtox.2022.100079. [PMID: 35734227]
  • Yinan Wang, Wenjuan Zhang, Aijing Li, Maoyong Song. Tetrachlorobisphenol A induced immunosuppression and uterine injury in mice. Ecotoxicology and environmental safety. 2021 Jan; 207(?):111527. doi: 10.1016/j.ecoenv.2020.111527. [PMID: 33254397]
  • P Pawlicki, M Duliban, R Tuz, A Ptak, A Milon, E Gorowska-Wojtowicz, W Tworzydlo, B J Płachno, B Bilinska, K Knapczyk-Stwora, M Kotula-Balak. Do G-protein coupled estrogen receptor and bisphenol A analogs influence on Leydig cell epigenetic regulation in immature boar testis ex vivo?. Animal reproduction science. 2019 Aug; 207(?):21-35. doi: 10.1016/j.anireprosci.2019.06.006. [PMID: 31266599]
  • Hangjun Zhang, Wenli Liu, Bin Chen, Jianbo He, Feifei Chen, Xiaodong Shan, Qiongxia Du, Ning Li, Xiuying Jia, Juan Tang. Differences in reproductive toxicity of TBBPA and TCBPA exposure in male Rana nigromaculata. Environmental pollution (Barking, Essex : 1987). 2018 Dec; 243(Pt A):394-403. doi: 10.1016/j.envpol.2018.08.086. [PMID: 30199813]
  • Zhihua Ji, Yaxian Zhang, Juan Tian, Fengbang Wang, Maoyong Song, Hao Li. Oxidative stress and cytotoxicity induced by tetrachlorobisphenol A in Saccharomyces cerevisiae cells. Ecotoxicology and environmental safety. 2018 10; 161(?):1-7. doi: 10.1016/j.ecoenv.2018.05.070. [PMID: 29857228]
  • Guozhu Ye, Yajie Chen, Hong-Ou Wang, Ting Ye, Yi Lin, Qiansheng Huang, Yulang Chi, Sijun Dong. Metabolomics approach reveals metabolic disorders and potential biomarkers associated with the developmental toxicity of tetrabromobisphenol A and tetrachlorobisphenol A. Scientific reports. 2016 10; 6(?):35257. doi: 10.1038/srep35257. [PMID: 27734936]
  • Huangshi Luo, Chunya Li, Huaifang Fang, Xian Wang. Comparative study of the interactions between bisphenol analogues and serum albumins by electrospray mass spectrometry and fluorescence spectroscopy. Rapid communications in mass spectrometry : RCM. 2016 08; 30 Suppl 1(?):162-7. doi: 10.1002/rcm.7633. [PMID: 27539432]
  • Anne Riu, Catherine W McCollum, Caroline L Pinto, Marina Grimaldi, Anne Hillenweck, Elisabeth Perdu, Daniel Zalko, Laure Bernard, Vincent Laudet, Patrick Balaguer, Maria Bondesson, Jan-Ake Gustafsson. Halogenated bisphenol-A analogs act as obesogens in zebrafish larvae (Danio rerio). Toxicological sciences : an official journal of the Society of Toxicology. 2014 May; 139(1):48-58. doi: 10.1093/toxsci/kfu036. [PMID: 24591153]
  • Hong Sun, Ou-Xi Shen, Xin-Ru Wang, Lian Zhou, Shi-Qi Zhen, Xiao-Dong Chen. Anti-thyroid hormone activity of bisphenol A, tetrabromobisphenol A and tetrachlorobisphenol A in an improved reporter gene assay. Toxicology in vitro : an international journal published in association with BIBRA. 2009 Aug; 23(5):950-4. doi: 10.1016/j.tiv.2009.05.004. [PMID: 19457453]