nitroanisole (BioDeep_00000012725)

   


代谢物信息卡片


1-Methoxy-2-nitrobenzene

化学式: C7H7NO3 (153.0425912)
中文名称: 2-硝基苯甲醚
谱图信息: 最多检出来源 Mus musculus(plant) 3.4%

分子结构信息

SMILES: COC1=C(C=CC=C1)[N+]([O-])=O
InChI: InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3751; ORIGINAL_PRECURSOR_SCAN_NO 3746
INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; CONFIDENCE standard compound; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760
CONFIDENCE standard compound; INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3769; ORIGINAL_PRECURSOR_SCAN_NO 3768
CONFIDENCE standard compound; INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760

同义名列表

5 个代谢物同义名

2-Nitroanisole; nitroanisole; 1-Methoxy-2-nitrobenzene; o-Nitroanisole; 2-Nitroanisole



数据库引用编号

14 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

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

  • Hiroshi Matsumoto, Fumiyo Saito, Masahiro Takeyoshi. Investigation of the early-response genes in chemical-induced renal carcinogenicity for the prediction of chemical carcinogenicity in rats. The Journal of toxicological sciences. 2017; 42(2):175-181. doi: 10.2131/jts.42.175. [PMID: 28321044]
  • Fabrice Nesslany, Nadia Zennouche, Sophie Simar-Meintières, Ismaïl Talahari, Esther-Nadège Nkili-Mboui, Daniel Marzin. In vivo Comet assay on isolated kidney cells to distinguish genotoxic carcinogens from epigenetic carcinogens or cytotoxic compounds. Mutation research. 2007 Jun; 630(1-2):28-41. doi: 10.1016/j.mrgentox.2007.02.010. [PMID: 17507283]
  • Marie Stiborová, Markéta Miksanová, Stanislav Smrcek, Christian A Bieler, Andrea Breuer, Karl A Klokow, Heinz H Schmeiser, Eva Frei. Identification of a genotoxic mechanism for 2-nitroanisole carcinogenicity and of its carcinogenic potential for humans. Carcinogenesis. 2004 May; 25(5):833-40. doi: 10.1093/carcin/bgh061. [PMID: 14729594]
  • Younghee Lee, Ke-Qing Ling, Xingliang Lu, Richard B Silverman, E M Shepard, D M Dooley, Lawrence M Sayre. 3-pyrrolines are mechanism-based inactivators of the quinone-dependent amine oxidases but only substrates of the flavin-dependent amine oxidases. Journal of the American Chemical Society. 2002 Oct; 124(41):12135-43. doi: 10.1021/ja0205434. [PMID: 12371853]
  • R D Irwin, R Chhabra, S Eustis, A Pinter, J D Prejean. Tumors of the bladder, kidney, and intestine of F344 rats and liver of B6C3F1 mice administered o-nitroanisole in feed. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1996 Mar; 30(1):1-12. doi: 10.1006/faat.1996.0037. [PMID: 8812201]
  • J G Hengstler, J Fuchs, U Bolm-Audorff, S Meyer, F Oesch. Single-strand breaks in deoxyribonucleic acid in fire fighters accidentally exposed to o-nitroanisole and other chemicals. Scandinavian journal of work, environment & health. 1995 Feb; 21(1):36-42. doi: 10.5271/sjweh.6. [PMID: 7784863]
  • U Heudorf, H G Neumann, M Peters. [Accident in the Hoechst AG company 22 February 1993. 2. Public health evaluation]. Gesundheitswesen (Bundesverband der Arzte des Offentlichen Gesundheitsdienstes (Germany)). 1994 Jul; 56(7):405-10. doi: NULL. [PMID: 7919705]
  • J H Yuan, C W Jameson, T J Goehl, B J Collins, G Corniffe, G Kuhn, C Castro. Effects of physical binding of o-Nitroanisole with feed upon its systemic availability in male F344 rats. Bulletin of environmental contamination and toxicology. 1991 Jul; 47(1):152-9. doi: 10.1007/bf01689467. [PMID: 1932857]
  • M J Miller, I G Sipes, D F Perry, D E Carter. Pharmacokinetics of o-nitroanisole in Fischer 344 rats. Drug metabolism and disposition: the biological fate of chemicals. 1985 Sep; 13(5):527-31. doi: NULL. [PMID: 2865097]