Methylecgonidine (BioDeep_00001028357)

   

natural product


代谢物信息卡片


Methylecgonidine

化学式: C10H15NO2 (181.110273)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CN1C2CCC1C(=CC2)C(=O)OC
InChI: InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1

描述信息

同义名列表

1 个代谢物同义名

Methylecgonidine



数据库引用编号

5 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

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)

15 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

  • N C Rubio, F Krumbiegel, F Pragst, D Thurmann, A Nagel, E Zytowski, M Aranguren, J C Gorlelo, N Poliansky. Discrimination between chewing of coca leaves or drinking of coca tea and smoking of "paco" (coca paste) by hair analysis. A preliminary study of possibilities and limitations. Forensic science international. 2019 Apr; 297(?):171-176. doi: 10.1016/j.forsciint.2019.01.040. [PMID: 30798102]
  • Rania Oueslati, Cheng Cheng, Jayne Wu, Jiangang Chen. Highly sensitive and specific on-site detection of serum cocaine by a low cost aptasensor. Biosensors & bioelectronics. 2018 Jun; 108(?):103-108. doi: 10.1016/j.bios.2018.02.055. [PMID: 29524683]
  • S Miramont, J-C Alvarez, E Bourgogne, G Chéron. [Passive cocaine inhalation by a 25-month-old child]. Archives de pediatrie : organe officiel de la Societe francaise de pediatrie. 2013 Jun; 20(6):654-6. doi: 10.1016/j.arcped.2013.03.006. [PMID: 23608459]
  • Jennifer L Pilgrim, Noel Woodford, Olaf H Drummer. Cocaine in sudden and unexpected death: a review of 49 post-mortem cases. Forensic science international. 2013 Apr; 227(1-3):52-9. doi: 10.1016/j.forsciint.2012.08.037. [PMID: 22981213]
  • Loralie J Langman, Matthew W Bjergum, Christopher L Williamson, Frank W Crow. Sensitive method for detection of cocaine and associated analytes by liquid chromatography-tandem mass spectrometry in urine. Journal of analytical toxicology. 2009 Oct; 33(8):447-55. doi: 10.1093/jat/33.8.447. [PMID: 19874651]
  • José Luiz da Costa, Fernando Gustavo Tonin, Luiz Antonio Zanolli, Alice Aparecida da Matta Chasin, Marina Franco Maggi Tavares. Simple method for determination of cocaine and main metabolites in urine by CE coupled to MS. Electrophoresis. 2009 Jun; 30(12):2238-44. doi: 10.1002/elps.200900032. [PMID: 19582724]
  • Diaa M Shakleya, Anna E Plumley, James C Kraner, Suzanne M Bell, Patrick S Callery. Trace evidence of trans-phenylpropene as a marker of smoked methamphetamine. Journal of analytical toxicology. 2008 Oct; 32(8):705-8. doi: 10.1093/jat/32.8.705. [PMID: 19007525]
  • Buddha D Paul, Shairose Lalani, Thomas Bosy, Aaron J Jacobs, Marilyn A Huestis. Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry. Biomedical chromatography : BMC. 2005 Nov; 19(9):677-88. doi: 10.1002/bmc.495. [PMID: 15841503]
  • Alan L Myers, Heather E Williams, James C Kraner, Patrick S Callery. Identification of anhydroecgonine ethyl ester in the urine of a drug overdose victim. Journal of forensic sciences. 2005 Nov; 50(6):1481-5. doi: NULL. [PMID: 16382849]
  • Anne Bülow, Steffen Sinning, Ove Wiborg, Mikael Bols. Two- and three dimensional combinatorial chemistry from multicomponent Grignard reagents. Journal of combinatorial chemistry. 2004 Jul; 6(4):509-19. doi: 10.1021/cc049947d. [PMID: 15244412]
  • Stefan W Toennes, Anabel S Fandiño, Franz-Josef Hesse, Gerold F Kauert. Artifact production in the assay of anhydroecgonine methyl ester in serum using gas chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2003 Jul; 792(2):345-51. doi: 10.1016/s1570-0232(03)00324-6. [PMID: 12860042]
  • Anabel S Fandiño, Stefan W Toennes, Gerold F Kauert. Studies on hydrolytic and oxidative metabolic pathways of anhydroecgonine methyl ester (methylecgonidine) using microsomal preparations from rat organs. Chemical research in toxicology. 2002 Dec; 15(12):1543-8. doi: 10.1021/tx0255828. [PMID: 12482236]
  • Anabel S Fandiño, Stefan W Toennes, Gerold F Kauert. Studies on in vitro degradation of anhydroecgonine methyl ester (methylecgonidine) in human plasma. Journal of analytical toxicology. 2002 Nov; 26(8):567-70. doi: 10.1093/jat/26.8.567. [PMID: 12501914]
  • Anabel S Fandiño, Michael Karas, Stefan W Toennes, Gerold Kauert. Identification of anhydroecgonine methyl ester N-oxide, a new metabolite of anhydroecgonine methyl ester, using electrospray mass spectrometry. Journal of mass spectrometry : JMS. 2002 May; 37(5):525-32. doi: 10.1002/jms.310. [PMID: 12112758]
  • L S de Jager, A R Andrews. Preliminary studies of a fast screening method for cocaine and cocaine metabolites in urine using hollow fibre membrane solvent microextraction (HFMSME). The Analyst. 2001 Aug; 126(8):1298-303. doi: 10.1039/b102039k. [PMID: 11534596]
  • E T Shimomura, G D Hodge, B D Paul. Examination of postmortem fluids and tissues for the presence of methylecgonidine, ecgonidine, cocaine, and benzoylecgonine using solid-phase extraction and gas chromatography-mass spectrometry. Clinical chemistry. 2001 Jun; 47(6):1040-7. doi: 10.1093/clinchem/47.6.1040. [PMID: 11375289]
  • K B Scheidweiler, J Shojaie, M A Plessinger, R W Wood, T C Kwong. Stability of methylecgonidine and ecgonidine in sheep plasma in vitro. Clinical chemistry. 2000 Nov; 46(11):1787-95. doi: 10.1093/clinchem/46.11.1787. [PMID: 11067814]
  • S W Toennes, A S Fandiño, G Kauert. Gas chromatographic-mass spectrometric detection of anhydroecgonine methyl ester (methylecgonidine) in human serum as evidence of recent smoking of crack. Journal of chromatography. B, Biomedical sciences and applications. 1999 Nov; 735(1):127-32. doi: 10.1016/s0378-4347(99)00412-0. [PMID: 10630898]
  • B D Paul, L K McWhorter, M L Smith. Electron ionization mass fragmentometric detection of urinary ecgonidine, a hydrolytic product of methylecgonidine, as an indicator of smoking cocaine. Journal of mass spectrometry : JMS. 1999 Jun; 34(6):651-60. doi: 10.1002/(sici)1096-9888(199906)34:6<651::aid-jms817>3.0.co;2-m. [PMID: 10394630]
  • P Kintz, C Sengler, V Cirimele, P Mangin. Evidence of crack use by anhydroecgonine methylester identification. Human & experimental toxicology. 1997 Feb; 16(2):123-7. doi: 10.1177/096032719701600208. [PMID: 9051417]
  • P Kintz, V Cirimele, C Sengler, P Mangin. Testing human hair and urine for anhydroecgonine methyl ester, a pyrolysis product of cocaine. Journal of analytical toxicology. 1995 Oct; 19(6):479-82. doi: 10.1093/jat/19.6.479. [PMID: 8926742]
  • E J Cone, M Hillsgrove, W D Darwin. Simultaneous measurement of cocaine, cocaethylene, their metabolites, and 'crack' pyrolysis products by gas chromatography-mass spectrometry. Clinical chemistry. 1994 Jul; 40(7 Pt 1):1299-305. doi: 10.1093/clinchem/40.7.1299. [PMID: 8013103]
  • P Jacob, E R Lewis, B A Elias-Baker, R T Jones. A pyrolysis product, anhydroecgonine methyl ester (methylecgonidine), is in the urine of cocaine smokers. Journal of analytical toxicology. 1990 Nov; 14(6):353-7. doi: 10.1093/jat/14.6.353. [PMID: 2087095]