4-Chloroaniline (BioDeep_00000003031)

human metabolite blood metabolite

代谢物信息卡片

4-Chloroaniline, trifluoroboron salt (1:1)

化学式: C6H6ClN (127.0188746)
中文名称: 对氯苯胺, 4-氯苯胺
谱图信息: 最多检出来源 Homo sapiens(blood) 23.2%

分子结构信息

SMILES: C1=CC(=CC=C1N)Cl
InChI: InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3539; ORIGINAL_PRECURSOR_SCAN_NO 3535
CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3530; ORIGINAL_PRECURSOR_SCAN_NO 3527
CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3546; ORIGINAL_PRECURSOR_SCAN_NO 3542
CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3544; ORIGINAL_PRECURSOR_SCAN_NO 3541
CONFIDENCE standard compound; INTERNAL_ID 4138
CONFIDENCE standard compound; INTERNAL_ID 8258
CONFIDENCE standard compound; INTERNAL_ID 8115

同义名列表

12 个代谢物同义名

4-Chloroaniline, trifluoroboron salt (1:1); 4-Chloroaniline hydrochloride; 4-Amino-1-chlorobenzene; 1-Amino-4-chlorobenzene; 4-Chloro-phenylamine; P-Chlorophenylamine; 4-Chlorobenzenamine; Para-chloroaniline; p-Chloroaniline; 4-CHLOROANILINE; 4-Chloroaniline; 4-Chloroaniline

数据库引用编号

24 个数据库交叉引用编号

ChEBI: CHEBI:20331
KEGG: C14450
PubChem: 7812
HMDB: HMDB0246391
Metlin: METLIN507
ChEMBL: CHEMBL15888
Wikipedia: 4-Chloroaniline
chemspider: 13869339
CAS: 106-47-8
MoNA: LU136151
MoNA: UF413804
MoNA: SM811502
MoNA: UF413802
MoNA: LU136154
MoNA: UF413801
MoNA: UF413803
MoNA: LU136153
MoNA: LU136152
MoNA: SM825801
PMhub: MS000007777
PubChem: 17395450
NIKKAJI: J4.034G
RefMet: 4-Chloroaniline
KNApSAcK: 20331

分类词条

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

9606 - Homo sapiens: -

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

Manni Wu, Jingjing Miao, Yuhan Li, Jiangyue Wu, Guoshan Wang, Dasheng Zhang, Luqing Pan. Impact of P-Chloroaniline on Oxidative Stress and Biomacromolecules Damage in the Clam Ruditapes philippinarums: A Simulate Toxicity Test of Spill Incident. International journal of environmental research and public health. 2022 04; 19(9):. doi: 10.3390/ijerph19095092. [PMID: 35564486]
Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
Jing Chang, Wei Li, Peng Xu, Baoyuan Guo, Yinghuan Wang, Jianzhong Li, Huili Wang. The tissue distribution, metabolism and hepatotoxicity of benzoylurea pesticides in male Eremias argus after a single oral administration. Chemosphere. 2017 Sep; 183(?):1-8. doi: 10.1016/j.chemosphere.2017.05.009. [PMID: 28511076]
H Below, O Assadian, R Baguhl, U Hildebrandt, B Jäger, K Meissner, D J Leaper, A Kramer. Measurements of chlorhexidine, p-chloroaniline, and p-chloronitrobenzene in saliva after mouth wash before and after operation with 0.2\% chlorhexidine digluconate in maxillofacial surgery: a randomised controlled trial. The British journal of oral & maxillofacial surgery. 2017 Feb; 55(2):150-155. doi: 10.1016/j.bjoms.2016.10.007. [PMID: 27789177]
M Bader, T Van Weyenbergh, E Verwerft, J Van Pul, S Lang, C Oberlinner. Human biomonitoring after chemical incidents and during short-term maintenance work as a tool for exposure analysis and assessment. Toxicology letters. 2014 Dec; 231(3):328-36. doi: 10.1016/j.toxlet.2014.09.015. [PMID: 25290578]
Birgitta Kütting, Thomas Göen, Ursula Schwegler, Hermann Fromme, Wolfgang Uter, Jürgen Angerer, Hans Drexler. Monoarylamines in the general population--a cross-sectional population-based study including 1004 Bavarian subjects. International journal of hygiene and environmental health. 2009 May; 212(3):298-309. doi: 10.1016/j.ijheh.2008.07.004. [PMID: 18789761]
Anthony F Pizon, Anna R Schwartz, Leo M Shum, Jon C Rittenberger, Darla R Lower, Spiros Giannoutsos, Mohamed A Virji, Matthew D Krasowski. Toxicology laboratory analysis and human exposure to p-chloroaniline. Clinical toxicology (Philadelphia, Pa.). 2009 Feb; 47(2):132-6. doi: 10.1080/15563650801971390. [PMID: 18608262]
Astrid Rehorek, Alexander Plum. Characterization of sulfonated azo dyes and aromatic amines by pyrolysis gas chromatography/mass spectrometry. Analytical and bioanalytical chemistry. 2007 Aug; 388(8):1653-62. doi: 10.1007/s00216-007-1390-0. [PMID: 17579845]
C R Jones, O Sepai, Y Y Liu, H Yan, G Sabbioni. Urinary metabolites and health effects in workers exposed chronically to chloronitrobenzene. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals. 2007 Jan; 12(1):1-20. doi: 10.1080/13547500600799250. [PMID: 17438650]
Jin-feng Peng, Jing-fu Liu, Gui-bin Jiang, Chao Tai, Min-jia Huang. Ionic liquid for high temperature headspace liquid-phase microextraction of chlorinated anilines in environmental water samples. Journal of chromatography. A. 2005 Apr; 1072(1):3-6. doi: 10.1016/j.chroma.2004.11.060. [PMID: 15881452]
Hua-feng Ren, Shu-qin Li, Shuang-jiang Liu, Zhi-pei Liu. [Isolation and characterization of a p-chloroaniline-degrading bacterial strain]. Huan jing ke xue= Huanjing kexue. 2005 Jan; 26(1):154-8. doi: . [PMID: 15859428]
Tobias Weiss, Jürgen Angerer. Simultaneous determination of various aromatic amines and metabolites of aromatic nitro compounds in urine for low level exposure using gas chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2002 Oct; 778(1-2):179-92. doi: 10.1016/s0378-4347(01)00542-4. [PMID: 12376125]
I S Mysiakina, N S Funtikova. [Composition of lipids from yeast-like and mycelial cells of the fungus Mucor hiemalis, grown in the presence of 4-chloroaniline]. Mikrobiologiia. 2000 Nov; 69(6):790-5. doi: ". [PMID: 11195578]
P Burkhardt-Holm, Y Oulmi, A Schroeder, V Storch, T Braunbeck. Toxicity of 4-chloroaniline in early life stages of zebrafish (Danio rerio): II. Cytopathology and regeneration of liver and gills after prolonged exposure to waterborne 4-chloroaniline. Archives of environmental contamination and toxicology. 1999 Jul; 37(1):85-102. doi: 10.1007/s002449900493. [PMID: 10341046]
L D Dial, D K Anestis, S R Kennedy, G O Rankin. Tissue distribution, subcellular localization and covalent binding of 2-chloroaniline and 4-chloroaniline in Fischer 344 rats. Toxicology. 1998 Nov; 131(2-3):109-19. doi: 10.1016/s0300-483x(98)00122-x. [PMID: 9928626]
G O Rankin, K W Beers, D W Nicoll, D K Anestis, S K Hong, J L Hubbard, J G Ball, M A Valentovic, P I Brown. Nephrotoxic potential of 2-amino-5-chlorophenol and 4-amino-3-chlorophenol in Fischer 344 rats: comparisons with 2- and 4-chloroaniline and 2- and 4-aminophenol. Toxicology. 1996 Apr; 108(1-2):109-23. doi: 10.1016/0300-483x(95)03294-p. [PMID: 8644109]
Y Oulmi, T Braunbeck. Toxicity of 4-chloroaniline in early life-stages of zebrafish (Brachydanio rerio): I. cytopathology of liver and kidney after microinjection. Archives of environmental contamination and toxicology. 1996 Mar; 30(3):390-402. doi: 10.1007/bf00212299. [PMID: 8854970]
X Q Wang, W Seinen, W De Wolf. Biotransformation of monochloroanilines in guppy, Poecilia reticulata. Xenobiotica; the fate of foreign compounds in biological systems. 1994 Jan; 24(1):59-69. doi: 10.3109/00498259409043221. [PMID: 8165822]
G O Rankin, M A Valentovic, K W Beers, D W Nicoll, J G Ball, D K Anestis, P I Brown, J L Hubbard. Renal and hepatic toxicity of monochloroacetanilides in the Fischer 344 rat. Toxicology. 1993 May; 79(3):181-93. doi: 10.1016/0300-483x(93)90210-j. [PMID: 8316948]
T Braunbeck, H Segner. Preexposure temperature acclimation and diet as modifying factors for the tolerance of golden ide (Leuciscus idus melanotus) to short-term exposure to 4-chloroaniline. Ecotoxicology and environmental safety. 1992 Aug; 24(1):72-94. doi: 10.1016/0147-6513(92)90037-4. [PMID: 1385081]
T Yoshida, M Hirata, T Tabuchi, K Miyajima, K Andoh. [Amounts of urinary metabolites of p-chloroaniline and their half lives in a patient with acute poisoning]. Sangyo igaku. Japanese journal of industrial health. 1992 Mar; 34(2):126-30. doi: 10.1539/joh1959.34.126. [PMID: 1602626]
T Yoshida, M Hirata, T Tabuchi, K Miyajima. [Excretion of p-chloroaniline metabolites into urine. Excretion of 2,4-dichloroaniline and p-chloroformanilide]. Sangyo igaku. Japanese journal of industrial health. 1992 Jan; 34(1):3-9. doi: 10.1539/joh1959.34.3. [PMID: 1635272]
T Yoshida, M Hirata, T Tabuchi, K Miyajima. [Identification of urinary metabolites in a patient of acute poisoning by p-chloroaniline]. Sangyo igaku. Japanese journal of industrial health. 1991 Nov; 33(6):501-8. doi: 10.1539/joh1959.33.501. [PMID: 1770617]
W J Ehlhardt, J J Howbert. Metabolism and disposition of p-chloroaniline in rat, mouse, and monkey. Drug metabolism and disposition: the biological fate of chemicals. 1991 Mar; 19(2):366-9. doi: . [PMID: 1676638]
I Cascorbi, M Forêt. Interaction of xenobiotics on the glucose-transport system and the Na+/K(+)-ATPase of human skin fibroblasts. Ecotoxicology and environmental safety. 1991 Feb; 21(1):38-46. doi: 10.1016/0147-6513(91)90006-b. [PMID: 1647945]
R S Chhabra, M Thompson, M R Elwell, D K Gerken. Toxicity of p-chloroaniline in rats and mice. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 1990 Oct; 28(10):717-22. doi: 10.1016/0278-6915(90)90148-g. [PMID: 2276700]
T Braunbeck, V Storch, H Bresch. Species-specific reaction of liver ultrastructure in Zebrafish (Brachydanio rerio) and trout (Salmo gairdneri) after prolonged exposure to 4-chloroaniline. Archives of environmental contamination and toxicology. 1990 May; 19(3):405-18. doi: 10.1007/bf01054986. [PMID: 2353840]
D J Minick, J H Frenz, M A Patrick, D A Brent. A comprehensive method for determining hydrophobicity constants by reversed-phase high-performance liquid chromatography. Journal of medicinal chemistry. 1988 Oct; 31(10):1923-33. doi: 10.1021/jm00118a010. [PMID: 3172126]
I Scheunert, F Korte, D Reiml. [Studies on the administration of plant pesticides on the plant/soil system in lysimeters using 14C-marked substances with special reference to leaching behavior]. Schriftenreihe des Vereins fur Wasser-, Boden- und Lufthygiene. 1987; 68(?):313-34. doi: ". [PMID: 3589544]
L R Brougham, H Y Cheng, K A Pittman. Sensitive high-performance liquid chromatographic method for the determination of chlorhexidine in human serum and urine. Journal of chromatography. 1986 Dec; 383(2):365-73. doi: 10.1016/s0378-4347(00)83482-9. [PMID: 3558566]
G O Rankin, D J Yang, K Cressey-Veneziano, S Casto, R T Wang, P I Brown. In vivo and in vitro nephrotoxicity of aniline and its monochlorophenyl derivatives in the Fischer 344 rat. Toxicology. 1986 Mar; 38(3):269-83. doi: 10.1016/0300-483x(86)90143-5. [PMID: 3952755]
I Golly, P Hlavica, J Wolf. The role of lipid peroxidation in the N-oxidation of 4-chloroaniline. The Biochemical journal. 1984 Dec; 224(2):415-21. doi: 10.1042/bj2240415. [PMID: 6517859]
D R Dohn, R I Krieger. N-demethylation of p-chloro-N-methylaniline catalyzed by subcellular fractions from the avocado pear (Persea americana). Archives of biochemistry and biophysics. 1984 Jun; 231(2):416-23. doi: 10.1016/0003-9861(84)90405-3. [PMID: 6732241]