Boceprevir (BioDeep_00000176789)
human metabolite blood metabolite
代谢物信息卡片
化学式: C27H45N5O5 (519.3421)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(blood) 50.6%
分子结构信息
SMILES: CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
InChI: InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)
描述信息
同义名列表
4 个代谢物同义名
3-{2-[N-tert-butyl-(C-hydroxycarbonimidoyl)amino]-3,3-dimethylbutanoyl}-N-(1-carbamoyl-3-cyclobutyl-1-oxopropan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboximidate; 3-[(3-{2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl)formamido]-4-cyclobutyl-2-oxobutanamide; Ebp 520;sch 503034; BOCEPREVIR
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
- Kay Seden, David Back. Directly acting antivirals for hepatitis C and antiretrovirals: potential for drug-drug interactions.
Current opinion in HIV and AIDS.
2011 Nov; 6(6):514-26. doi:
10.1097/coh.0b013e32834b54dc. [PMID: 22001895] - Marc G Ghany, David R Nelson, Doris B Strader, David L Thomas, Leonard B Seeff. An update on treatment of genotype 1 chronic hepatitis C virus infection: 2011 practice guideline by the American Association for the Study of Liver Diseases.
Hepatology (Baltimore, Md.).
2011 Oct; 54(4):1433-44. doi:
10.1002/hep.24641. [PMID: 21898493] - H Mo, C Yang, K Wang, Y Wang, M Huang, B Murray, X Qi, S-C Sun, M Deshpande, G Rhodes, M D Miller. Estimation of inhibitory quotient using a comparative equilibrium dialysis assay for prediction of viral response to hepatitis C virus inhibitors.
Journal of viral hepatitis.
2011 May; 18(5):338-48. doi:
10.1111/j.1365-2893.2010.01314.x. [PMID: 20456634] - Harald Farnik, Juliane El-Duweik, Christoph Welsch, Christoph Sarrazin, Jörn Lötsch, Stefan Zeuzem, Gerd Geisslinger, Helmut Schmidt. Highly sensitive determination of HCV protease inhibitors boceprevir (SCH 503034) and telaprevir (VX 950) in human plasma by LC-MS/MS.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2009 Dec; 877(31):4001-6. doi:
10.1016/j.jchromb.2009.10.013. [PMID: 19864192] - Ganfeng Wang, Yunsheng Hsieh, Kuo-Chi Cheng, Richard A Morrison, Srikanth Venkatraman, F George Njoroge, Larry Heimark, Walter A Korfmacher. Ultra-performance liquid chromatography/tandem mass spectrometric determination of diastereomers of SCH 503034 in monkey plasma.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2007 Jun; 852(1-2):92-100. doi:
10.1016/j.jchromb.2006.12.038. [PMID: 17240204] - Dale J Kempf, Cheri Klein, Hui-Ju Chen, Larry L Klein, Clinton Yeung, John T Randolph, Yau Y Lau, Linda E Chovan, Zhiwen Guan, Lisa Hernandez, Teresa M Turner, Peter J Dandliker, Kennan C Marsh. Pharmacokinetic enhancement of the hepatitis C virus protease inhibitors VX-950 and SCH 503034 by co-dosing with ritonavir.
Antiviral chemistry & chemotherapy.
2007; 18(3):163-7. doi:
10.1177/095632020701800306. [PMID: 17626600]
