4-Chloro-2-methylaniline (BioDeep_00000002748)

 

Secondary id: BioDeep_00001868357

human metabolite blood metabolite Volatile Flavor Compounds


代谢物信息卡片


4-Chloro-2-methylaniline hydrochloride

化学式: C7H8ClN (141.0345238)
中文名称: 4-氯-2-甲基苯胺
谱图信息: 最多检出来源 Homo sapiens(blood) 66.67%

分子结构信息

SMILES: CC1=C(C=CC(=C1)Cl)N
InChI: InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3

描述信息

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds
D004396 - Coloring Agents

同义名列表

10 个代谢物同义名

4-Chloro-2-methylaniline hydrochloride; p-Chloro-O-toluidine hydrochloride; 4-Chloro-2-toluidine hydrochloride; 4-Chloro-2-methylaniline; 4-Chloro-ortho-toluidine; 2-Amino-5-chlorotoluene; 4-Chloro-2-toluidine; p-Chloro-O-toluidine; 4-Chloro-O-toluidine; 4-Chloro-ortho-toluidine



数据库引用编号

14 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

  • Roberta Turci, Angelo Barisano, Claudio Balducci, Claudio Colosio, Claudio Minoia. Determination of dichloroanilines in human urine by gas chromatography/mass spectrometry: validation protocol and establishment of Reference Values in a population group living in central Italy. Rapid communications in mass spectrometry : RCM. 2006; 20(17):2621-5. doi: 10.1002/rcm.2658. [PMID: 16897789]
  • I Pavan, C Baroffio, E Buglione, V Passini, E Pira. [Aromatic amines with certain, probable, or possible carcinogenic action: reference values]. Giornale italiano di medicina del lavoro ed ergonomia. 2003 Jan; 25(1):68-73. doi: . [PMID: 12696487]
  • Kaoru Sekihashi, Ayumu Yamamoto, Yukie Matsumura, Shunji Ueno, Mie Watanabe-Akanuma, Fekadu Kassie, Siegfried Knasmüller, Shuji Tsuda, Yu F Sasaki. Comparative investigation of multiple organs of mice and rats in the comet assay. Mutation research. 2002 May; 517(1-2):53-75. doi: 10.1016/s1383-5718(02)00034-7. [PMID: 12034309]
  • K Wittke, H Hajimiragha, L Dunemann, J Begerow. Determination of dichloroanilines in human urine by GC-MS, GC-MS-MS, and GC-ECD as markers of low-level pesticide exposure. Journal of chromatography. B, Biomedical sciences and applications. 2001 May; 755(1-2):215-28. doi: 10.1016/s0378-4347(01)00078-0. [PMID: 11393707]
  • M J Stasik. Carcinomas of the urinary bladder in a 4-chloro-o-toluidine cohort. International archives of occupational and environmental health. 1988; 60(1):21-4. doi: 10.1007/bf00409374. [PMID: 3350600]
  • R Geyer, F Fattal. HPLC determination of the metabolite 4-chloro-o-toluidine in the urine of workers occupationally exposed to chlordimeform. Journal of analytical toxicology. 1987 Jan; 11(1):24-6. doi: 10.1093/jat/11.1.24. [PMID: 3821074]