Ecgonine (BioDeep_00000271125)

Main id: BioDeep_00000001954

 


代谢物信息卡片


Ecgonine

化学式: C9H15NO3 (185.105188)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 14.29%

分子结构信息

SMILES: CN1C2CCC1C(C(=O)O)C(O)C2
InChI: InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1

描述信息

A tropane alkaloid that consists of tropane bearing carboxy and hydroxy substituents at positions 2 and 3 respectively and having (1R,2R,3S,5S)-configuration. It is both a metabolite of and a precursor to cocaine.
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
D002491 - Central Nervous System Agents > D000700 - Analgesics

同义名列表

1 个代谢物同义名

Ecgonine



数据库引用编号

20 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)

0 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

  • Nicolás Fernández, Laura Marina Cabanillas, Nancy Mónica Olivera, Patricia Noemí Quiroga. Optimization and validation of simultaneous analyses of ecgonine, cocaine, and seven metabolites in human urine by gas chromatography-mass spectrometry using a one-step solid-phase extraction. Drug testing and analysis. 2019 Feb; 11(2):361-373. doi: 10.1002/dta.2547. [PMID: 30468698]
  • Lingjuan Xiong, Rong Wang, Chen Liang, Fangqi Cao, Yulan Rao, Xin Wang, Libo Zeng, Chunfang Ni, Haiying Ye, Yurong Zhang. Determination of ecgonine and seven other cocaine metabolites in human urine and whole blood by ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry. Analytical and bioanalytical chemistry. 2013 Dec; 405(30):9805-16. doi: 10.1007/s00216-013-7417-9. [PMID: 24202193]
  • Sara Castiglioni, Renzo Bagnati, Manuela Melis, Deepika Panawennage, Paul Chiarelli, Roberto Fanelli, Ettore Zuccato. Identification of cocaine and its metabolites in urban wastewater and comparison with the human excretion profile in urine. Water research. 2011 Oct; 45(16):5141-50. doi: 10.1016/j.watres.2011.07.017. [PMID: 21824638]
  • Kevin J Bisceglia, A Lynn Roberts, Michele M Schantz, Katrice A Lippa. Quantification of drugs of abuse in municipal wastewater via SPE and direct injection liquid chromatography mass spectrometry. Analytical and bioanalytical chemistry. 2010 Nov; 398(6):2701-12. doi: 10.1007/s00216-010-4191-9. [PMID: 20865408]
  • Michael L Smith, Eric Shimomura, Buddha D Paul, Edward J Cone, W David Darwin, Marilyn A Huestis. Urinary excretion of ecgonine and five other cocaine metabolites following controlled oral, intravenous, intranasal, and smoked administration of cocaine. Journal of analytical toxicology. 2010 Mar; 34(2):57-63. doi: 10.1093/jat/34.2.57. [PMID: 20223096]
  • Marilyn A Huestis, W David Darwin, Eric Shimomura, Shairose A Lalani, Daniel V Trinidad, Amanda J Jenkins, Edward J Cone, Aaron J Jacobs, Michael L Smith, Buddha D Paul. Cocaine and metabolites urinary excretion after controlled smoked administration. Journal of analytical toxicology. 2007 Oct; 31(8):462-8. doi: 10.1093/jat/31.8.462. [PMID: 17988460]
  • Thomas Kraemer, Liane D Paul. Bioanalytical procedures for determination of drugs of abuse in blood. Analytical and bioanalytical chemistry. 2007 Aug; 388(7):1415-35. doi: 10.1007/s00216-007-1271-6. [PMID: 17468860]
  • Robert W Romberg, Matthew H Jamerson, Kevin L Klette. Rapid analysis of benzoylecgonine in urine by fast gas chromatography-mass spectrometry. Journal of analytical toxicology. 2006 Oct; 30(8):554-8. doi: 10.1093/jat/30.8.554. [PMID: 17132251]
  • Wayne C Duer, Daniel J Spitz, Shallyn McFarland. Relationships between concentrations of cocaine and its hydrolysates in peripheral blood, heart blood, vitreous humor and urine. Journal of forensic sciences. 2006 Mar; 51(2):421-5. doi: 10.1111/j.1556-4029.2006.00063.x. [PMID: 16566784]
  • Patrick S Cardona, Arvind K Chaturvedi, John W Soper, Dennis V Canfield. Simultaneous analyses of cocaine, cocaethylene, and their possible metabolic and pyrolytic products. Forensic science international. 2006 Feb; 157(1):46-56. doi: 10.1016/j.forsciint.2005.04.001. [PMID: 16428007]
  • 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]
  • Thomas Visalli, Rita Turkall, Mohamed S Abdel-Rahman. Gender differences in cocaine pharmacokinetics in CF-1 mice. Toxicology letters. 2005 Jan; 155(1):35-40. doi: 10.1016/j.toxlet.2004.08.008. [PMID: 15585357]
  • A Queiroz-Neto, G Zamur, J C Lacerda-Neto, T Tobin. Determination of the highest no-effect dose (HNED) and of the elimination pattern for cocaine in horses. Journal of applied toxicology : JAT. 2002 Mar; 22(2):117-21. doi: 10.1002/jat.836. [PMID: 11920936]
  • Tarek F El-Moselhy, Kwasi S Avor, Garo P Basmadjian. Synthesis and dopamine transporter binding of 2beta-isopropyl ester analogs of cocaine. European journal of medicinal chemistry. 2002 Feb; 37(2):171-6. doi: 10.1016/s0223-5234(01)01314-9. [PMID: 11858849]
  • A Klingmann, G Skopp, R Aderjan. Analysis of cocaine, benzoylecgonine, ecogonine methyl ester, and ecgonine by high-pressure liquid chromatography-API mass spectrometry and application to a short-term degradation study of cocaine in plasma. Journal of analytical toxicology. 2001 Sep; 25(6):425-30. doi: 10.1093/jat/25.6.425. [PMID: 11550815]
  • T F el-Moselhy, K S Avor, G P Basmadjian. 2'-substituted analogs of cocaine: synthesis and dopamine transporter binding potencies. Archiv der Pharmazie. 2001 Sep; 334(8-9):275-8. doi: 10.1002/1521-4184(200109)334:8/9<275::aid-ardp275>3.0.co;2-b. [PMID: 11688137]
  • R J Briscoe, P M Jeanville, C Cabrera, T J Baird, J H Woods, D W Landry. A catalytic antibody against cocaine attenuates cocaine's cardiovascular effects in mice: a dose and time course analysis. International immunopharmacology. 2001 Jun; 1(6):1189-98. doi: 10.1016/s1567-5769(01)00054-6. [PMID: 11407313]
  • G Skopp, A Klingmann, L Pötsch, R Mattern. In vitro stability of cocaine in whole blood and plasma including ecgonine as a target analyte. Therapeutic drug monitoring. 2001 Apr; 23(2):174-81. doi: 10.1097/00007691-200104000-00014. [PMID: 11294520]
  • D L Allen, J S Oliver. The application of supercritical fluid extraction to cocaine and its metabolites in blood and urine. Journal of analytical toxicology. 2000 Apr; 24(3):228-32. doi: 10.1093/jat/24.3.228. [PMID: 10774543]
  • K L Peterson, B K Logan, G D Christian. Detection of cocaine and its polar transformation products and metabolites in human urine. Forensic science international. 1995 Jun; 73(3):183-96. doi: 10.1016/0379-0738(95)01749-9. [PMID: 7657184]
  • C L Hornbeck, K M Barton, R J Czarny. Urine concentrations of ecgonine from specimens with low benzoylecgonine levels using a new ecgonine assay. Journal of analytical toxicology. 1995 May; 19(3):133-8. doi: 10.1093/jat/19.3.133. [PMID: 7564289]
  • N De Giovanni, S Strano Rossi. Simultaneous detection of cocaine and heroin metabolites in urine by solid-phase extraction and gas chromatography-mass spectrometry. Journal of chromatography. B, Biomedical applications. 1994 Aug; 658(1):69-73. doi: 10.1016/0378-4347(94)00209-6. [PMID: 7952133]
  • M Nishikawa, K Nakajima, M Tatsuno, F Kasuya, K Igarashi, M Fukui, H Tsuchihashi. The analysis of cocaine and its metabolites by liquid chromatography/atmospheric pressure chemical ionization-mass spectrometry (LC/APCI-MS). Forensic science international. 1994 Jun; 66(3):149-58. doi: 10.1016/0379-0738(94)90340-9. [PMID: 7959465]
  • C Giroud, T Colassis, L Rivier, E Ottinger. [Cocaine and alcohol: an explosive cocktail!]. Schweizerische Rundschau fur Medizin Praxis = Revue suisse de medecine Praxis. 1993 Apr; 82(15):441-6. doi: NULL. [PMID: 8511449]
  • K Nakashima, M Okamoto, K Yoshida, N Kuroda, S Akiyama, M Yamaguchi. Preparation of a fluorescent derivative of benzoylecgonine, and preliminary studies of its application to the analysis of urine. Journal of chromatography. 1992 Dec; 584(2):275-9. doi: 10.1016/0378-4347(92)80587-g. [PMID: 1484114]
  • J de Kanel, L Dunlap, T D Hall. Extending the detection limit of the TDx fluorescence polarization immunoassay for benzoylecgonine in urine. Clinical chemistry. 1989 Oct; 35(10):2110-2. doi: 10.1093/clinchem/35.10.2110. [PMID: 2791279]
  • A R Jeffcoat, M Perez-Reyes, J M Hill, B M Sadler, C E Cook. Cocaine disposition in humans after intravenous injection, nasal insufflation (snorting), or smoking. Drug metabolism and disposition: the biological fate of chemicals. 1989 Mar; 17(2):153-9. doi: . [PMID: 2565204]
  • D S Isenschmid, B S Levine, Y H Caplan. A method for the simultaneous determination of cocaine, benzoylecgonine, and ecgonine methyl ester in blood and urine using GC/EIMS with derivatization to produce high mass molecular ions. Journal of analytical toxicology. 1988 Sep; 12(5):242-5. doi: 10.1093/jat/12.5.242. [PMID: 3226120]
  • J Ambre. The urinary excretion of cocaine and metabolites in humans: a kinetic analysis of published data. Journal of analytical toxicology. 1985 Nov; 9(6):241-5. doi: 10.1093/jat/9.6.241. [PMID: 4079334]
  • K Robinson, R N Smith. Radioimmunoassay of benzoylecgonine in samples of forensic interest. The Journal of pharmacy and pharmacology. 1984 Mar; 36(3):157-62. doi: 10.1111/j.2042-7158.1984.tb06930.x. [PMID: 6144748]