Benzonitrile (BioDeep_00000875045)
Main id: BioDeep_00000007615
代谢物信息卡片
Benzonitrile
化学式: C7H5N (103.0422)
中文名称: 苯甲腈
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1=CC=C(C=C1)C#N
InChI: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
数据库引用编号
11 个数据库交叉引用编号
- ChEBI: CHEBI:27991
- KEGG: C09814
- PubChem: 7505
- ChEMBL: CHEMBL15819
- foodb: FDB029710
- CAS: 100-47-0
- PubChem: 12002
- 3DMET: B01115
- NIKKAJI: J3.590D
- RefMet: Benzonitrile
- KNApSAcK: 27991
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
- Yixuan Wang, Jianrui Li, Jiali Tan, Bo Yang, Yanni Quan, Zonggen Peng, Yanping Li, Zhuorong Li. Design, Synthesis, and Biological Evaluation of 2-((4-Bisarylmethyl-piperazin-1-yl)methyl)benzonitrile Derivatives as HCV Entry Inhibitors.
Journal of medicinal chemistry.
2022 02; 65(3):2107-2121. doi:
10.1021/acs.jmedchem.1c01637. [PMID: 35050619] - Sadiya Shabbir, Mohd Muslim, Shivani A Muthu, Raghuvir R S Pissurlenkar, Shaista Fatima, Arif Ali, Aiman Ahmad, Musheer Ahmad, Basir Ahmad. The cocrystal of 3-((4-(3-isocyanobenzyl) piperazine-1-yl) methyl) benzonitrile with 5-hydroxy isophthalic acid prevents protofibril formation of serum albumin.
Journal of biomolecular structure & dynamics.
2022 01; 40(1):538-548. doi:
10.1080/07391102.2020.1815585. [PMID: 32876543] - Francesca Ercole, Friederike M Mansfeld, Maria Kavallaris, Michael R Whittaker, John F Quinn, Michelle L Halls, Thomas P Davis. Macromolecular Hydrogen Sulfide Donors Trigger Spatiotemporally Confined Changes in Cell Signaling.
Biomacromolecules.
2016 Jan; 17(1):371-83. doi:
10.1021/acs.biomac.5b01469. [PMID: 26653086] - María de Castro, Janice G Miller, José Luis Acebes, Antonio Encina, Penélope García-Angulo, Stephen C Fry. The biosynthesis and wall-binding of hemicelluloses in cellulose-deficient maize cells: an example of metabolic plasticity.
Journal of integrative plant biology.
2015 Apr; 57(4):373-87. doi:
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BioMed research international.
2015; 2015(?):381264. doi:
10.1155/2015/381264. [PMID: 26339609] - Alicja B Veselá, Helena Pelantová, Miroslav Sulc, Martina Macková, Petra Lovecká, Markéta Thimová, Fabrizia Pasquarelli, Martina Pičmanová, Miroslav Pátek, Tek Chand Bhalla, Ludmila Martínková. Biotransformation of benzonitrile herbicides via the nitrile hydratase-amidase pathway in rhodococci.
Journal of industrial microbiology & biotechnology.
2012 Dec; 39(12):1811-9. doi:
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PLoS genetics.
2011 May; 7(5):e1002064. doi:
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PloS one.
2011 Feb; 6(2):e17033. doi:
10.1371/journal.pone.0017033. [PMID: 21347337] - A J Najar-Rodriguez, C G Galizia, J Stierle, S Dorn. Behavioral and neurophysiological responses of an insect to changing ratios of constituents in host plant-derived volatile mixtures.
The Journal of experimental biology.
2010 Oct; 213(Pt 19):3388-97. doi:
10.1242/jeb.046284. [PMID: 20833933] - A B Veselá, M Franc, H Pelantová, D Kubác, V Vejvoda, M Sulc, T C Bhalla, M Macková, P Lovecká, P Janů, K Demnerová, L Martínková. Hydrolysis of benzonitrile herbicides by soil actinobacteria and metabolite toxicity.
Biodegradation.
2010 Sep; 21(5):761-70. doi:
10.1007/s10532-010-9341-4. [PMID: 20204468] - Seongwook Jeong, Margaret M Woo, David A Flockhart, Zeruesenay Desta. Inhibition of drug metabolizing cytochrome P450s by the aromatase inhibitor drug letrozole and its major oxidative metabolite 4,4'-methanol-bisbenzonitrile in vitro.
Cancer chemotherapy and pharmacology.
2009 Oct; 64(5):867-75. doi:
10.1007/s00280-009-0935-7. [PMID: 19198839] - Wei-Chao Song, Jian-Rong Li, Peng-Chao Song, Ying Tao, Qun Yu, Xiao-Lan Tong, Xian-He Bu. Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.
Inorganic chemistry.
2009 Apr; 48(8):3792-9. doi:
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Bioorganic & medicinal chemistry letters.
2009 Jan; 19(1):184-7. doi:
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ChemMedChem.
2008 Nov; 3(11):1708-30. doi:
10.1002/cmdc.200800164. [PMID: 18816537] - Jaime C Piñero, C Giovanni Galizia, Silvia Dorn. Synergistic behavioral responses of female oriental fruit moths (Lepidoptera:Tortricidae) to synthetic host plant-derived mixtures are mirrored by odor-evoked calcium activity in their antennal lobes.
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Chemphyschem : a European journal of chemical physics and physical chemistry.
2005 Nov; 6(11):2359-70. doi:
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Journal of medicinal chemistry.
2005 Sep; 48(19):6140-55. doi:
10.1021/jm050452s. [PMID: 16162014] - Frank M Dautzenberg, Jacqueline Higelin, Philippe Pflieger, Werner Neidhart, Wolfgang Guba. Establishment of robust functional assays for the characterization of neuropeptide Y (NPY) receptors: identification of 3-(5-benzoyl-thiazol-2-ylamino)-benzonitrile as selective NPY type 5 receptor antagonist.
Neuropharmacology.
2005 Jun; 48(7):1043-55. doi:
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