4-Chloro-2-methylphenol (BioDeep_00000005187)

 

Secondary id: BioDeep_00001867830

human metabolite blood metabolite


代谢物信息卡片


4-chloro-2-Cresol, potassium salt

化学式: C7H7ClO (142.0185402)
中文名称: 4-氯邻甲酚
谱图信息: 最多检出来源 Homo sapiens(blood) 0.06%

分子结构信息

SMILES: CC1=C(C=CC(=C1)Cl)O
InChI: InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4509; ORIGINAL_PRECURSOR_SCAN_NO 4507
CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4489; ORIGINAL_PRECURSOR_SCAN_NO 4487
CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4527; ORIGINAL_PRECURSOR_SCAN_NO 4526
CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4535; ORIGINAL_PRECURSOR_SCAN_NO 4534
CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4544; ORIGINAL_PRECURSOR_SCAN_NO 4540

同义名列表

8 个代谢物同义名

4-chloro-2-Cresol, potassium salt; 4-chloro-2-Cresol, sodium salt; 2-METHYL-4-CHLOROPHENOL; 4-CHLORO-2-METHYLPHENOL; 4-Chloro-2-cresol; 4-Chloro-O-cresol; p-Chloro-O-cresol; 2,4-MCP



数据库引用编号

17 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

1 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

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

  • D A S Sakunthala Tennakoon, K A P Bandumala Perera, L S Hathurusinghe. An unusual case of non-fatal poisoning due to herbicide 4-chloro-2-methyl phenoxyacetic acid (MCPA). Forensic science international. 2014 Oct; 243(?):90-4. doi: 10.1016/j.forsciint.2014.04.039. [PMID: 24867053]
  • Sergi Garcia-Segura, Lucio Cesar Almeida, Nerilso Bocchi, Enric Brillas. Solar photoelectro-Fenton degradation of the herbicide 4-chloro-2-methylphenoxyacetic acid optimized by response surface methodology. Journal of hazardous materials. 2011 Oct; 194(?):109-18. doi: 10.1016/j.jhazmat.2011.07.089. [PMID: 21872394]
  • Tatsunori Takayasu, Takahito Hayashi, Yuko Ishida, Mizuho Nosaka, Shinya Mizunuma, Tomoko Miyashita, Mariko Kawaguchi, Akihiko Kimura, Toshikazu Kondo. A fatal intoxication from ingestion of 2-methyl-4-chlorophenoxyacetic acid (MCPA). Journal of analytical toxicology. 2008 Mar; 32(2):187-91. doi: 10.1093/jat/32.2.187. [PMID: 18334105]
  • Hong Fang, Weida Tong, William S Branham, Carrie L Moland, Stacy L Dial, Huixiao Hong, Qian Xie, Roger Perkins, William Owens, Daniel M Sheehan. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chemical research in toxicology. 2003 Oct; 16(10):1338-58. doi: 10.1021/tx030011g. [PMID: 14565775]
  • H Mertingk, R H Müller, W Babel. Etherolytic cleavage of 4-(2,4-dichlorophenoxy)butyric acid and 4-(4-chloro-2-methylphenoxy)butyric acid by species of Rhodococcus and Aureobacterium isolated from an alkaline environment. Journal of basic microbiology. 1998; 38(4):257-267. doi: . [PMID: 9867509]
  • M L Hattula, H Reunanen, A U Arstila. Toxicity of 4-chloro-O-cresol to rat: I. Light microscopy and chemical observations. Bulletin of environmental contamination and toxicology. 1979 Mar; 21(4-5):492-7. doi: 10.1007/bf01685459. [PMID: 444741]