4-Ethylnaphthalen-1-yl-(1-pentylindol-3-yl)methanone (BioDeep_00000180237)
human metabolite blood metabolite
代谢物信息卡片
化学式: C26H27NO (369.20925320000003)
中文名称: (4-乙基萘-1-基)(1-戊基-1H-吲哚-3-基)甲酮
谱图信息:
最多检出来源 Homo sapiens(blood) 50%
分子结构信息
SMILES: CCCCCN1C=C(C(=O)C2=CC=C(CC)C3=CC=CC=C23)C2=CC=CC=C12
InChI: InChI=1S/C26H27NO/c1-3-5-10-17-27-18-24(22-13-8-9-14-25(22)27)26(28)23-16-15-19(4-2)20-11-6-7-12-21(20)23/h6-9,11-16,18H,3-5,10,17H2,1-2H3
数据库引用编号
6 个数据库交叉引用编号
- ChEBI: CHEBI:186515
- PubChem: 45270396
- HMDB: HMDB0253748
- ChEMBL: CHEMBL549603
- chemspider: 24617616
- CAS: 824959-81-1
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。
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] - Nadine Schaefer, Ann-Katrin Kröll, Christina Körbel, Matthias W Laschke, Michael D Menger, Hans H Maurer, Markus R Meyer, Peter H Schmidt. Time- and temperature-dependent postmortem concentration changes of the (synthetic) cannabinoids JWH-210, RCS-4, as well as ∆9-tetrahydrocannabinol following pulmonary administration to pigs.
Archives of toxicology.
2020 05; 94(5):1585-1599. doi:
10.1007/s00204-020-02707-4. [PMID: 32189036] - Nadine Schaefer, Andreas G Helfer, Mattias Kettner, Matthias W Laschke, Julia Schlote, Andreas H Ewald, Markus R Meyer, Michael D Menger, Hans H Maurer, Peter H Schmidt. Metabolic patterns of JWH-210, RCS-4, and THC in pig urine elucidated using LC-HR-MS/MS: Do they reflect patterns in humans?.
Drug testing and analysis.
2017 Apr; 9(4):613-625. doi:
10.1002/dta.1995. [PMID: 27328899] - Nadine Schaefer, Mattias Kettner, Matthias W Laschke, Julia Schlote, Andreas H Ewald, Michael D Menger, Hans H Maurer, Peter H Schmidt. Distribution of Synthetic Cannabinoids JWH-210, RCS-4 and Δ 9-Tetrahydrocannabinol After Intravenous Administration to Pigs.
Current neuropharmacology.
2017; 15(5):713-723. doi:
10.2174/1570159x15666161111114214. [PMID: 27834143] - Annelies Cannaert, Jolien Storme, Florian Franz, Volker Auwärter, Christophe P Stove. Detection and Activity Profiling of Synthetic Cannabinoids and Their Metabolites with a Newly Developed Bioassay.
Analytical chemistry.
2016 12; 88(23):11476-11485. doi:
10.1021/acs.analchem.6b02600. [PMID: 27779402] - Maren Hermanns-Clausen, Josephine Kithinji, Marco Spehl, Verena Angerer, Florian Franz, Florian Eyer, Volker Auwärter. Adverse effects after the use of JWH-210 - a case series from the EU Spice II plus project.
Drug testing and analysis.
2016 Oct; 8(10):1030-1038. doi:
10.1002/dta.1936. [PMID: 26768345] - 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] - M Hutter, S Broecker, S Kneisel, V Auwärter. Identification of the major urinary metabolites in man of seven synthetic cannabinoids of the aminoalkylindole type present as adulterants in 'herbal mixtures' using LC-MS/MS techniques.
Journal of mass spectrometry : JMS.
2012 Jan; 47(1):54-65. doi:
10.1002/jms.2026. [PMID: 22282090]