N-METHYLANILINE (BioDeep_00000003035)
Secondary id: BioDeep_00000405937
human metabolite blood metabolite
代谢物信息卡片
化学式: C7H9N (107.0735)
中文名称: N-甲基苯胺
谱图信息:
最多检出来源 Homo sapiens(blood) 26.21%
分子结构信息
SMILES: CNc(c1)cccc1
InChI: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
描述信息
N-methylaniline, also known as methylphenylamine or N-methylbenzenamine, is a member of the class of compounds known as phenylalkylamines. Phenylalkylamines are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group. N-methylaniline is soluble (in water) and a strong basic compound (based on its pKa). N-methylaniline can be found in a number of food items such as carrot, wild carrot, orange bell pepper, and red bell pepper, which makes N-methylaniline a potential biomarker for the consumption of these food products. N-Methylaniline (NMA) is an aniline derivative. It is an organic compound with the chemical formula C6H5NH(CH3). The substance exists as a colorless or slightly yellow viscous liquid and turns brown when exposed to air. The chemical is insoluble in water. It is used as a latent and coupling solvent and is also used as an intermediate for dyes, agrochemicals and other organic products manufacturing. NMA is toxic and exposure can cause damage to the central nervous system and can also cause liver and kidney failure .
CONFIDENCE standard compound; INTERNAL_ID 8126
KEIO_ID M066
同义名列表
15 个代谢物同义名
Methylaniline hydrochloride; N-Methyl-N-phenylamine; (Methylamino)benzene; N-Methylaminobenzene; N-Monomethylaniline; N-Phenylmethylamine; N-Methylbenzenamine; N-Methylphenylamine; Methylphenylamine; Monomethylaniline; N-methyl-Aniline; N-METHYLANILINE; Methylaniline; N-Methylaniline; N-methylaniline
数据库引用编号
21 个数据库交叉引用编号
- ChEBI: CHEBI:15733
- KEGG: C02299
- PubChem: 7515
- HMDB: HMDB0255185
- Metlin: METLIN511
- ChEMBL: CHEMBL170781
- Wikipedia: N-Methylaniline
- foodb: FDB003963
- CAS: 100-61-8
- MoNA: KO003448
- MoNA: SM812601
- MoNA: KO003449
- MoNA: KO003451
- MoNA: KO003447
- MoNA: KO003450
- PMhub: MS000007782
- PubChem: 5354
- PDB-CCD: 1MR
- NIKKAJI: J3.591B
- RefMet: N-Methylaniline
- KNApSAcK: 15733
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)
2 个相关的物种来源信息
- 4442 - Camellia sinensis: 10.1021/JF60201A032
- 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
- Zhenzhen Zhang, Xueqian He, Xiaomin Zhang, Dehai Li, Guangwei Wu, Zhenzhen Liu, Chao Niu, Lanping Yang, Wenting Song, Zhanlin Li, Zhenhui Wang. Production of Multiple Talaroenamines from Penicillium malacosphaerulum via One-Pot/Two-Stage Precursor-Directed Biosynthesis.
Journal of natural products.
2022 09; 85(9):2168-2176. doi:
10.1021/acs.jnatprod.2c00394. [PMID: 35993848] - Chatrawee Direksilp, Johannes M Scheiger, Nuttha Ariyasajjamongkol, Anuvat Sirivat. A highly selective and sensitive electrochemical sensor for dopamine based on a functionalized multi-walled carbon nanotube and poly(N-methylaniline) composite.
Analytical methods : advancing methods and applications.
2022 01; 14(4):469-479. doi:
10.1039/d1ay01943k. [PMID: 35029250] - Huiwen Wang, Xiaoyong Zhao, Yu Huang, Jiancong Liao, Yaqin Liu, Yuanjiang Pan. Rapid quality control of medicine and food dual purpose plant polysaccharides by matrix assisted laser desorption/ionization mass spectrometry.
The Analyst.
2020 Mar; 145(6):2168-2175. doi:
10.1039/c9an02440a. [PMID: 32104793] - Juejun Hu, Vladimir Tarasov, Anu Agarwal, Lionel Kimerling, Nathan Carlie, Laeticia Petit, Kathleen Richardson. Fabrication and testing of planar chalcogenide waveguide integrated microfluidic sensor.
Optics express.
2007 Mar; 15(5):2307-14. doi:
10.1364/oe.15.002307. [PMID: 19532465] - Zakaria Rachid, Fouad Brahimi, Athanasia Katsoulas, Nicole Teoh, Bertrand J Jean-Claude. The combi-targeting concept: chemical dissection of the dual targeting properties of a series of "combi-triazenes".
Journal of medicinal chemistry.
2003 Sep; 46(20):4313-21. doi:
10.1021/jm030142e. [PMID: 13678409] - S S Mirvish, M D Ramm, J P Sams, D M Babcook. Nitrosamine formation from amines applied to the skin of mice after and before exposure to nitrogen dioxide.
Cancer research.
1988 Mar; 48(5):1095-9. doi:
. [PMID: 3342392] - Y Shimojima, T Shirai, T Baba, H Hayashi. 1H-2-Benzopyran-1-one derivatives, microbial products with pharmacological activity. Conversion into orally active derivatives with antiinflammatory and antiulcer activities.
Journal of medicinal chemistry.
1985 Jan; 28(1):3-9. doi:
10.1021/jm00379a002. [PMID: 3965711] - H M Pylypiw, J R Zubroff, P N Magee, G W Harrington. The metabolism of N-nitrosomethylaniline.
Journal of cancer research and clinical oncology.
1984; 108(1):66-70. doi:
10.1007/bf00390975. [PMID: 6746719] - I C Calder, C C Funder, C R Green, K N Ham, J D Tange. Comparative nephrotoxicity of aspirin and phenacetin derivatives.
British medical journal.
1971 Nov; 4(5786):518-21. doi:
10.1136/bmj.4.5786.518. [PMID: 5128205] - J WHITE, P MORI-CHAVEZ. Acute necrotizing renal papillitis experimentally produced in rats fed mono-N-methylaniline.
Journal of the National Cancer Institute.
1952 Feb; 12(4):777-87. doi:
NULL. [PMID: 14908543]
