4-Methylethcathinone (BioDeep_00000174451)
Secondary id: BioDeep_00000272143
human metabolite blood metabolite
代谢物信息卡片
化学式: C12H17NO (191.131)
中文名称: 4-甲基乙炔酮
谱图信息:
最多检出来源 Rattus norvegicus(blood) 61.45%
分子结构信息
SMILES: CCNC(C)C(=O)C1=CC=C(C)C=C1
InChI: InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3
描述信息
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants
同义名列表
数据库引用编号
6 个数据库交叉引用编号
- ChEBI: CHEBI:168695
- PubChem: 52988259
- HMDB: HMDB0246509
- chemspider: 25630091
- CAS: 1225617-18-4
- KEGG: C22707
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。
| 亚细胞结构定位 | 关联基因列表 |
|---|
文献列表
- Mohamed Yassine Braham, Angélique Franchi, Nathalie Cartiser, Fabien Bévalot, Charline Bottinelli, Hervé Fabrizi, Laurent Fanton. Fatal 4-MEC Intoxication: Case Report and Review of Literature.
The American journal of forensic medicine and pathology.
2021 Mar; 42(1):57-61. doi:
10.1097/paf.0000000000000599. [PMID: 32773434] - Manuela Pellegrini, Giorgio Bolino, Maria Rosaria Varì, Raffaele Giorgetti, Simona Pichini, Francesco Paolo Busardò. A fatal chemsex case involving γ-butyrolactone and 4-methylethcathinone.
Drug testing and analysis.
2019 09; 11(9):1465-1470. doi:
10.1002/dta.2677. [PMID: 31301212] - Alexandra Maas, Konrad Sydow, Burkhard Madea, Cornelius Hess. Separation of ortho, meta and para isomers of methylmethcathinone (MMC) and methylethcathinone (MEC) using LC-ESI-MS/MS: Application to forensic serum samples.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2017 Apr; 1051(?):118-125. doi:
10.1016/j.jchromb.2017.01.046. [PMID: 28262446] - Kusumika Saha, John S Partilla, Kurt R Lehner, Amir Seddik, Thomas Stockner, Marion Holy, Walter Sandtner, Gerhard F Ecker, Harald H Sitte, Michael H Baumann. 'Second-generation' mephedrone analogs, 4-MEC and 4-MePPP, differentially affect monoamine transporter function.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology.
2015 May; 40(6):1321-31. doi:
10.1038/npp.2014.325. [PMID: 25502630] - Andreas G Helfer, Alain Turcant, David Boels, Séverine Ferec, Bénédicte Lelièvre, Jessica Welter, Markus R Meyer, Hans H Maurer. Elucidation of the metabolites of the novel psychoactive substance 4-methyl-N-ethyl-cathinone (4-MEC) in human urine and pooled liver microsomes by GC-MS and LC-HR-MS/MS techniques and of its detectability by GC-MS or LC-MS(n) standard screening approaches.
Drug testing and analysis.
2015 May; 7(5):368-75. doi:
10.1002/dta.1682. [PMID: 24953431] - L D Simmler, A Rickli, M C Hoener, M E Liechti. Monoamine transporter and receptor interaction profiles of a new series of designer cathinones.
Neuropharmacology.
2014 Apr; 79(?):152-60. doi:
10.1016/j.neuropharm.2013.11.008. [PMID: 24275046] - Mátyás Mayer, András Benko, András Huszár, Katalin Sipos, Anikó Lajtai, Agnes Lakatos, Zoltán Porpáczy. Simultaneous determination of 4-substituted cathinones (4-MMC, 4-MEC and 4-FMC) in human urine by HPLC-DAD.
Journal of chromatographic science.
2013 Oct; 51(9):861-6. doi:
10.1093/chromsci/bms183. [PMID: 23192736] - Dominika Gil, Piotr Adamowicz, Agnieszka Skulska, Bogdan Tokarczyk, Roman Stanaszek. Analysis of 4-MEC in biological and non-biological material--three case reports.
Forensic science international.
2013 May; 228(1-3):e11-5. doi:
10.1016/j.forsciint.2013.03.011. [PMID: 23562144]
