4-Nitrotoluene (BioDeep_00000009880)
Secondary id: BioDeep_00001871757
human metabolite blood metabolite Exogenous Industrial Pollutants
代谢物信息卡片
化学式: C7H7NO2 (137.0477)
中文名称: 对硝基甲苯, 4-硝基甲苯
谱图信息:
最多检出来源 Homo sapiens(blood) 23.43%
Last reviewed on 2024-10-16.
Cite this Page
4-Nitrotoluene. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China.
https://query.biodeep.cn/s/4-nitrotoluene (retrieved
2024-12-22) (BioDeep RN: BioDeep_00000009880). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
分子结构信息
SMILES: CC1=CC=C(C=C1)N(=O)=O
InChI: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
描述信息
P-nitrotoluene appears as a yellow liquid with a weak aromatic odor. Toxic. Insoluble in water. Combustible but may take some effort to ignite. Produces toxic oxides of nitrogen when burned. In a spill, immediate steps should be taken to limit its spread to the environment. Can easily penetrate the soil and contaminate groundwater or nearby streams. Used to make other chemicals.
4-Nitrotoluene is an organic compound with the chemical formula C7H7NO2. It is a yellowish liquid or solid, depending on the temperature, and has a characteristic aromatic odor. This compound is primarily used in industrial applications, such as in the production of dyes, pesticides, and other chemicals.
In terms of its toxicity to humans:
Acute Toxicity: 4-Nitrotoluene can enter the body through inhalation, skin contact, and ingestion. Acute exposure can lead to irritation of the eyes and skin, headaches, dizziness, nausea, vomiting, and liver damage.
Chronic Toxicity: Prolonged exposure to 4-nitrotoluene can result in more severe health issues, including damage to the liver and kidneys, effects on the central nervous system, and a potential risk of cancer.
Environmental and Health Impact: 4-Nitrotoluene can be found in water and soil, posing a risk to aquatic life. It can also accumulate in the food chain.
Due to its toxicity and potential health risks, 4-nitrotoluene is typically subject to strict control and regulation, especially in industrial settings. Appropriate safety measures, such as wearing personal protective equipment and following safe operating procedures, are necessary when handling this chemical.
同义名列表
14 个代谢物同义名
4-Nitrotoluene, ion (1-), hydrogen; 4-Nitrotoluene, (ar-nitro)-isomer; 4-Nitrotoluene, ion (1-); 1-Methyl-4-nitrobenzene; 4-Nitrotoluene hydride; p-Methylnitrobenzene; 4-Methylnitrobenzene; Para-nitrotoluol; p-Nitrotoluene; 4-NITROTOLUENE; 4-Nitrotoluol; PNT; 4-Nitrotoluene; 4-Nitrotoluene
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:35227
- KEGG: C14394
- PubChem: 7473
- HMDB: HMDB0246551
- Metlin: METLIN70025
- ChEMBL: CHEMBL155320
- Wikipedia: 4-Nitrotoluene
- chemspider: 13863774
- CAS: 99-99-0
- PMhub: MS000023700
- NIKKAJI: J3.999C
- PubChem: 17395394
- KNApSAcK: 35227
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
2 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(2)
- 4-nitrotoluene degradation I:
4-nitrotoluene + H+ + O2 + a reduced ferredoxin [iron-sulfur] cluster ⟶ 4-nitrobenzyl alcohol + H2O + an oxidized ferredoxin [iron-sulfur] cluster - 4-nitrotoluene degradation II:
(S)-4-hydroxy-2-oxohexanoate + A ⟶ (3Z)-4-hydroxy-2-oxohexenoate + A(H2)
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
- Deepak Singh, Gurunath Ramanathan. Biomineralization of 3-nitrotoluene by Diaphorobacter species.
Biodegradation.
2013 Sep; 24(5):645-55. doi:
10.1007/s10532-012-9612-3. [PMID: 23212174] - Youping Deng, Sharon A Meyer, Xin Guan, Barbara Lynn Escalon, Junmei Ai, Mitchell S Wilbanks, Ruth Welti, Natàlia Garcia-Reyero, Edward J Perkins. Analysis of common and specific mechanisms of liver function affected by nitrotoluene compounds.
PloS one.
2011 Feb; 6(2):e14662. doi:
10.1371/journal.pone.0014662. [PMID: 21346803] - Nobutada Kimura, Kayoko Sakai, Kazunori Nakamura. Isolation and characterization of a 4-nitrotoluene-oxidizing enzyme from activated sludge by a metagenomic approach.
Microbes and environments.
2010; 25(2):133-9. doi:
10.1264/jsme2.me10110. [PMID: 21576864] - Lishan Jia, Qian Zhang, Qingbiao Li, Hao Song. The biosynthesis of palladium nanoparticles by antioxidants in Gardenia jasminoides Ellis: long lifetime nanocatalysts for p-nitrotoluene hydrogenation.
Nanotechnology.
2009 Sep; 20(38):385601. doi:
10.1088/0957-4484/20/38/385601. [PMID: 19713585] - Timothy M Streit, Abdolsamad Borazjani, Shellaine E Lentz, Monika Wierdl, Philip M Potter, Steven R Gwaltney, Matthew K Ross. Evaluation of the 'side door' in carboxylesterase-mediated catalysis and inhibition.
Biological chemistry.
2008 Feb; 389(2):149-62. doi:
10.1515/bc.2008.017. [PMID: 18163883] - Gabriele Sabbioni, Christopher R Jones, Ovnair Sepai, Ari Hirvonen, Hannu Norppa, Hilkka Järventaus, Hansruedi Glatt, Doreen Pomplun, Huifang Yan, Lance R Brooks, Sarah H Warren, David M Demarini, Yu-Ying Liu. Biomarkers of exposure, effect, and susceptibility in workers exposed to nitrotoluenes.
Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology.
2006 Mar; 15(3):559-66. doi:
10.1158/1055-9965.epi-05-0677. [PMID: 16537716] - Sunao Aso, Katsumi Miyata, Hatsune Ehara, Satsuki Hosyuyama, Keiji Shiraishi, Takaaki Umano, Yasusi Minobe. A two-generation reproductive toxicity study of 4-nitrotoluene in rats.
The Journal of toxicological sciences.
2005 Dec; 30 Spec No.(?):117-134. doi:
10.2131/jts.30.s117. [PMID: 16641538] - Harry C Winter, Stefan Oscarson, Rikard Slättegård, Maozhong Tian, Irwin J Goldstein. Banana lectin is unique in its recognition of the reducing unit of 3-O-beta-glucosyl/mannosyl disaccharides: a calorimetric study.
Glycobiology.
2005 Oct; 15(10):1043-50. doi:
10.1093/glycob/cwi074. [PMID: 15888634] - . Toxicology and carcinogenesis studies of p-nitrotoluene (CAS no. 99-99-0) in F344/N rats and B6C3F(1) mice (feed studies).
National Toxicology Program technical report series.
2002 May; ?(498):1-277. doi:
. [PMID: 12118261] - J K Dunnick, M R Elwell, J R Bucher. Comparative toxicities of o-, m-, and p-nitrotoluene in 13-week feed studies in F344 rats and B6C3F1 mice.
Fundamental and applied toxicology : official journal of the Society of Toxicology.
1994 Apr; 22(3):411-21. doi:
10.1006/faat.1994.1047. [PMID: 7519572] - L A Burns, S G Bradley, K L White, J A McCay, B A Fuchs, M Stern, R D Brown, D L Musgrove, M P Holsapple, M I Luster. Immunotoxicity of mono-nitrotoluenes in female B6C3F1 mice: I. Para-nitrotoluene.
Drug and chemical toxicology.
1994; 17(3):317-58. doi:
10.3109/01480549409017863. [PMID: 7988386] - J Struijs, J Stoltenkamp. Ultimate biodegradation of 2-, 3- and 4-nitrotoluene.
The Science of the total environment.
1986 Dec; 57(?):161-70. doi:
10.1016/0048-9697(86)90020-3. [PMID: 3810140] - J P Chism, M J Turner, D E Rickert. The metabolism and excretion of mononitrotoluenes by Fischer 344 rats.
Drug metabolism and disposition: the biological fate of chemicals.
1984 Sep; 12(5):596-602. doi:
. [PMID: 6149910] - M Ciss, N Huyen, H Dutertre, N Phu-Lich, R Truhaut. [Toxicologic study of nitrotoluenes: long-term toxicity].
Dakar medical.
1980; 25(4):293-302. doi:
NULL. [PMID: 7227150]
