Didemethylcitalopram (BioDeep_00000014819)

 

Secondary id: BioDeep_00001875365

human metabolite Endogenous blood metabolite


代谢物信息卡片


1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

化学式: C18H17FN2O (296.1324844)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(feces) 0.24%

分子结构信息

SMILES: C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2

描述信息

In humans, CITA is metabolized to demethylcitalopram (DCITA) by CYP2C19, CYP2D6, and CYP3A and to didemethylcitalopram by CYP2D6. (PMID: 19011672) The major metabolite of citalopram is demethylcitalopram, which is subsequently metabolized to the minor metabolite didemethylcitalopram (DDCT). (PMID: 22085614)

同义名列表

5 个代谢物同义名

1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile; Didesmethylcitalopram oxalate; Di-demethylcitalopram; Didesmethylcitalopram; Didemethylcitalopram



数据库引用编号

9 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

3 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(1)

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

  • Nora Unceta, Alberto Gómez-Caballero, Deiene García, Goretti Díaz, Antonio Guerreiro, Sergey Piletsky, M Aránzazu Goicolea, Ramón J Barrio. Enantioselective extraction of (+)-(S)-citalopram and its main metabolites using a tailor-made stir bar chiral imprinted polymer for their LC-ESI-MS/MS quantitation in urine samples. Talanta. 2013 Nov; 116(?):448-53. doi: 10.1016/j.talanta.2013.07.004. [PMID: 24148428]
  • Susan M Schreffler, Jeanna M Marraffa, Christine M Stork, Jennifer Mackey. Sodium channel blockade with QRS widening after an escitalopram overdose. Pediatric emergency care. 2013 Sep; 29(9):998-1001. doi: 10.1097/pec.0b013e3182a314b7. [PMID: 24201980]
  • Sarah M R Wille, Kristof E Maudens, Carlos H Van Peteghem, Willy E E Lambert. Development of a solid phase extraction for 13 'new' generation antidepressants and their active metabolites for gas chromatographic-mass spectrometric analysis. Journal of chromatography. A. 2005 Dec; 1098(1-2):19-29. doi: 10.1016/j.chroma.2005.08.059. [PMID: 16314157]
  • Karin Herrlin, Norio Yasui-Furukori, Gunnel Tybring, Jolanta Widén, Lars L Gustafsson, Leif Bertilsson. Metabolism of citalopram enantiomers in CYP2C19/CYP2D6 phenotyped panels of healthy Swedes. British journal of clinical pharmacology. 2003 Oct; 56(4):415-21. doi: 10.1046/j.1365-2125.2003.01874.x. [PMID: 12968986]
  • Margareta Reis, Gunilla Olsson, Björn Carlsson, Jöns Lundmark, Marja-Liisa Dahl, Jan Wålinder, Johan Ahlner, Finn Bengtsson. Serum levels of citalopram and its main metabolites in adolescent patients treated in a naturalistic clinical setting. Journal of clinical psychopharmacology. 2002 Aug; 22(4):406-13. doi: 10.1097/00004714-200208000-00012. [PMID: 12172341]
  • J Sidhu, M Priskorn, M Poulsen, A Segonzac, G Grollier, F Larsen. Steady-state pharmacokinetics of the enantiomers of citalopram and its metabolites in humans. Chirality. 1997; 9(7):686-92. doi: 10.1002/(sici)1520-636x(1997)9:7<686::aid-chir9>3.0.co;2-5. [PMID: 9366029]
  • P P Rop, A Durand, A Viala, A Jørgensen. Simultaneous determination of citalopram, monodesmethylcitalopram and didesmethylcitalopram in plasma by high-performance liquid chromatography after column extraction. Journal of chromatography. 1990 Apr; 527(1):226-32. doi: 10.1016/s0378-4347(00)82105-2. [PMID: 2365786]