(1-Pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone (BioDeep_00000171535)
Secondary id: BioDeep_00000408300
human metabolite blood metabolite
代谢物信息卡片
化学式: C21H29NO (311.2249)
中文名称: (1-戊基-1H-吲哚-3-基) (2,2,3,3-四甲基环丙基) 甲酮)
谱图信息:
最多检出来源 Escherichia coli(natural_products) 95.45%
分子结构信息
SMILES: CCCCCN1C=C(C(=O)C2C(C)(C)C2(C)C)C2=CC=CC=C12
InChI: InChI=1S/C21H29NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h8-9,11-12,14,19H,6-7,10,13H2,1-5H3
数据库引用编号
6 个数据库交叉引用编号
- PubChem: 44626619
- HMDB: HMDB0242288
- ChEMBL: CHEMBL571773
- chemspider: 24634882
- CAS: 1199943-44-6
- KEGG: C22781
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 |
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文献列表
- Manuela Pellegrini, Emilia Marchei, Esther Papaseit, Magí Farré, Simona Zaami. UHPLC-HRMS and GC-MS Screening of a Selection of Synthetic Cannabinoids and Metabolites in Urine of Consumers.
Medicina (Kaunas, Lithuania).
2020 Aug; 56(8):. doi:
10.3390/medicina56080408
. [PMID: 32823724] - David Fabregat-Safont, María Ibáñez, Abel Baquero, Juan Vicente Sancho, Félix Hernández, Gonzalo Haro. Investigation on the consumption of synthetic cannabinoids among teenagers by the analysis of herbal blends and urine samples.
Journal of pharmaceutical and biomedical analysis.
2020 Jul; 186(?):113298. doi:
10.1016/j.jpba.2020.113298
. [PMID: 32325401] - Marta Almada, Patrícia Alves, Bruno M Fonseca, Félix Carvalho, Cláudio R Queirós, Helena Gaspar, Cristina Amaral, Natércia A Teixeira, Georgina Correia-da-Silva. Synthetic cannabinoids JWH-018, JWH-122, UR-144 and the phytocannabinoid THC activate apoptosis in placental cells.
Toxicology letters.
2020 Feb; 319(?):129-137. doi:
10.1016/j.toxlet.2019.11.004
. [PMID: 31730886] - Sarah Al Fawaz, Mohammad Al Deeb, James L Huffman, Naji A Al Kholaif, Fiona Garlich, Ryan Chuang. A Case of Status Epilepticus and Transient Stress Cardiomyopathy Associated with Smoking the Synthetic Psychoactive Cannabinoid, UR-144.
The American journal of case reports.
2019 Dec; 20(?):1902-1906. doi:
10.12659/ajcr.918918
. [PMID: 31857571] - Melanie Hutter, Sebastian Broecker, Stefan Kneisel, Florian Franz, Simon D Brandt, Volker Auwarter. Metabolism of Nine Synthetic Cannabinoid Receptor Agonists Encountered in Clinical Casework: Major in vivo Phase I Metabolites of AM-694, AM-2201, JWH-007, JWH-019, JWH-203, JWH-307, MAM-2201, UR-144 and XLR-11 in Human Urine Using LC-MS/MS.
Current pharmaceutical biotechnology.
2018; 19(2):144-162. doi:
10.2174/1389201019666180509163114
. [PMID: 29745330] - Brian F Thomas, Timothy W Lefever, Ricardo A Cortes, Megan Grabenauer, Alexander L Kovach, Anderson O Cox, Purvi R Patel, Gerald T Pollard, Julie A Marusich, Richard C Kevin, Thomas F Gamage, Jenny L Wiley. Thermolytic Degradation of Synthetic Cannabinoids: Chemical Exposures and Pharmacological Consequences.
The Journal of pharmacology and experimental therapeutics.
2017 04; 361(1):162-171. doi:
10.1124/jpet.116.238717
. [PMID: 28087785] - Karl B Scheidweiler, Michael J Y Jarvis, Marilyn A Huestis. Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry.
Analytical and bioanalytical chemistry.
2015 Jan; 407(3):883-97. doi:
10.1007/s00216-014-8118-8
. [PMID: 25224637] - Amanda L A Mohr, Bill Ofsa, Alyssa Marie Keil, John R Simon, Matthew McMullin, Barry K Logan. Enzyme-linked immunosorbent assay (ELISA) for the detection of use of the synthetic cannabinoid agonists UR-144 and XLR-11 in human urine.
Journal of analytical toxicology.
2014 Sep; 38(7):427-31. doi:
10.1093/jat/bku049
. [PMID: 24908262] - Laura M Huppertz, Stefan Kneisel, Volker Auwärter, Jürgen Kempf. A comprehensive library-based, automated screening procedure for 46 synthetic cannabinoids in serum employing liquid chromatography-quadrupole ion trap mass spectrometry with high-temperature electrospray ionization.
Journal of mass spectrometry : JMS.
2014 Feb; 49(2):117-27. doi:
10.1002/jms.3328
. [PMID: 24677304] - Piotr Adamowicz, Dariusz Zuba, Karolina Sekuła. Analysis of UR-144 and its pyrolysis product in blood and their metabolites in urine.
Forensic science international.
2013 Dec; 233(1-3):320-7. doi:
10.1016/j.forsciint.2013.10.005
. [PMID: 24314536] - Jenny L Wiley, Julie A Marusich, Timothy W Lefever, Megan Grabenauer, Katherine N Moore, Brian F Thomas. Cannabinoids in disguise: Δ9-tetrahydrocannabinol-like effects of tetramethylcyclopropyl ketone indoles.
Neuropharmacology.
2013 Dec; 75(?):145-54. doi:
10.1016/j.neuropharm.2013.07.022
. [PMID: 23916483] - Tim Sobolevsky, Ilya Prasolov, Grigory Rodchenkov. Detection of urinary metabolites of AM-2201 and UR-144, two novel synthetic cannabinoids.
Drug testing and analysis.
2012 Oct; 4(10):745-53. doi:
10.1002/dta.1418
. [PMID: 23042760]