2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline (BioDeep_00000002563)

 

Secondary id: BioDeep_00001876205

human metabolite Endogenous blood metabolite


代谢物信息卡片


5-ethyl-2-methyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole

化学式: C19H21N (263.1674)
中文名称: 2-乙基-5-甲基-3,3-二苯基吡咯烷
谱图信息: 最多检出来源 Homo sapiens(blood) 24.92%

分子结构信息

SMILES: CCC1=NC(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1
InChI: InChI=1S/C19H21N/c1-3-18-19(14-15(2)20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3

描述信息

2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline is a metabolite of methadone. Methadone (also known as Symoron, Dolophine, Amidone, Methadose, Physeptone, Heptadon, Phy and many other names) is a synthetic opioid, used medically as an analgesic and a maintenance anti-addictive for use in patients with opioid dependency. It was developed in Germany in 1937. Although chemically unlike morphine or heroin, methadone acts on the same opioid receptors as these drugs, and thus has many of the same effects. (Wikipedia)

同义名列表

6 个代谢物同义名

5-ethyl-2-methyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole; 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline; 2-ethyl-5-methyl-3,3-diphenylpyrroline; didemethylmethadone(EMDP); EMDP-3,3; EMDP



数据库引用编号

10 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

2 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(2)

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

  • Wenjie J Lu, Weidong Zhou, Yvonne Kreutz, David A Flockhart. Methadone adverse reaction presenting with large increase in plasma methadone binding: a case series. Journal of medical case reports. 2011 Oct; 5(?):513. doi: 10.1186/1752-1947-5-513. [PMID: 21985665]
  • Chun-Chi Wang, Cheng-Chung Chen, Shang-Jang Wang, Shou-Mei Wu. Cation-selective exhaustive injection and sweeping micellar electrokinetic chromatography for the analysis of methadone and its metabolites in serum of heroin addicts. Journal of chromatography. A. 2011 Sep; 1218(38):6832-7. doi: 10.1016/j.chroma.2011.07.086. [PMID: 21862022]
  • Francina Fonseca, Rafael de la Torre, Laura Díaz, Antonio Pastor, Elisabet Cuyàs, Nieves Pizarro, Olha Khymenets, Magí Farré, Marta Torrens. Contribution of cytochrome P450 and ABCB1 genetic variability on methadone pharmacokinetics, dose requirements, and response. PloS one. 2011 May; 6(5):e19527. doi: 10.1371/journal.pone.0019527. [PMID: 21589866]
  • Edward Goucher, Andrew Kicman, Kim Wolff, Norman Smith, Sue Jickells. Hydrophilic stationary phases: a practical approach for the co-analysis of compounds with varying polarity in biological matrices. Journal of separation science. 2010 Mar; 33(6-7):955-65. doi: 10.1002/jssc.200900727. [PMID: 20183825]
  • Panagiota D Nikolaou, Ioannis I Papoutsis, Julia Atta-Politou, Sotiris A Athanaselis, Chara A Spiliopoulou, Antony C Calokerinos, Constantinos P Maravelias. Validated method for the simultaneous determination of methadone and its main metabolites (EDDP and EMDP) in plasma of umbilical cord blood by gas chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2008 May; 867(2):219-25. doi: 10.1016/j.jchromb.2008.04.006. [PMID: 18436488]
  • Pai-Sheng Cheng, Choung-Huei Lee, Chiareiy Liu, Chun-Sheng Chien. Simultaneous determination of ketamine, tramadol, methadone, and their metabolites in urine by gas chromatography-mass spectrometry. Journal of analytical toxicology. 2008 Apr; 32(3):253-9. doi: 10.1093/jat/32.3.253. [PMID: 18397578]
  • Diaa M Shakleya, Lauren M Jansson, Marilyn A Huestis. Validation of a LC-APCI-MS/MS method for quantification of methadone, 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (EDDP) and 2-ethyl-5-methyl-3,3-diphenylpyraline (EMDP) in infant plasma following protein precipitation. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2007 Sep; 856(1-2):267-72. doi: 10.1016/j.jchromb.2007.06.004. [PMID: 17602899]
  • M Rosnowska, B Piesio, W Cendrowski. Blood serum linoleic, linolenic and arachidonic acids in patients with multiple sclerosis. Acta medica Polona. 1979; 20(3):273-80. doi: NULL. [PMID: 517165]