Nitrobenzene (BioDeep_00000002877)
Secondary id: BioDeep_00001867809
human metabolite PANOMIX_OTCML-2023
代谢物信息卡片
Hydroxy(phenyl)azane oxide (acd/name 4.0)
化学式: C6H5NO2 (123.032)
中文名称: 硝基苯
谱图信息:
最多检出来源 Homo sapiens(plant) 4.73%
分子结构信息
SMILES: C1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
描述信息
Approximately 95\\% of nitrobenzene is consumed in the production of aniline, which is a precursor to rubber chemicals, pesticides, dyes, explosives, and pharmaceuticals. Nitrobenzene is an organic compound with the chemical formula C6H5NO2. It is a water-insoluble pale yellow oil with an almond-like odor. It freezes to give greenish-yellow crystals. It is produced on a large scale from benzene as a precursor to aniline. In the laboratory, it is occasionally used as a solvent, especially for electrophilic reagents. Nitrobenzene is prepared by nitration of benzene with a mixture of concentrated sulfuric acid, water, and nitric acid. This mixture is sometimes called mixed acid. The production of nitrobenzene is one of the most dangerous processes conducted in the chemical industry because of the exothermicity of the reaction ( delta H = 117 kJ/mol).
同义名列表
22 个代谢物同义名
Hydroxy(phenyl)azane oxide (acd/name 4.0); Nitrobenzol, liquid(dot); Rcra waste number u169; 4-Hydroxynitrobenzene; PNP, p-Nitrophenol; Essence OF myrbane; Essence OF mirbane; Oil OF myrbane; Oil OF mirbane; Nitro-benzene; p-Nitrophenol; 4-Nitrophenol; Nitrobenzeen; NITROBENZENE; Nitrobenzen; Mirbane oil; Nitrobenzol; Niphen; PNP; Nitrobenzene; Nitrobenzene; Nitrobenzene-d5
数据库引用编号
17 个数据库交叉引用编号
- ChEBI: CHEBI:27798
- KEGG: C06813
- PubChem: 7416
- HMDB: HMDB0041950
- Metlin: METLIN44789
- ChEMBL: CHEMBL15750
- Wikipedia: Nitrobenzene
- MetaCyc: BENZENE-NO2
- chemspider: 7138
- CAS: 4165-60-0
- CAS: 98-95-3
- PMhub: MS000006756
- PubChem: 9032
- PDB-CCD: NBZ
- 3DMET: B01056
- NIKKAJI: J3.989F
- KNApSAcK: 27798
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
7 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(5)
- nitrobenzene degradation II:
NADH + O2 + nitrobenzene ⟶ NAD+ + catechol + nitrite - nitrobenzene degradation II:
NADH + O2 + nitrobenzene ⟶ NAD+ + catechol + nitrite - nitrobenzene degradation I:
N-phenylhydroxylamine ⟶ 2-aminophenol - nitrobenzene degradation I:
N-phenylhydroxylamine ⟶ 2-aminophenol - nitrobenzene degradation I:
hydroxyaminobenzene ⟶ 2-aminophenol
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(2)
- nitrobenzene degradation II:
NADH + O2 + nitrobenzene ⟶ NAD+ + catechol + nitrite - nitrobenzene degradation II:
NADH + O2 + nitrobenzene ⟶ NAD+ + catechol + nitrite
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
- Elena Chugunova, Nurgali Akylbekov, Alexey Dobrynin, Alexander Burilov, Carla Boga, Gabriele Micheletti, Vincenzo Frenna, Edoardo Jun Mattioli, Matteo Calvaresi, Domenico Spinelli. 4,6-Dichloro-5-Nitrobenzofuroxan: Different Polymorphisms and DFT Investigation of Its Reactivity with Nucleophiles.
International journal of molecular sciences.
2021 Dec; 22(24):. doi:
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International journal of biological macromolecules.
2020 Nov; 163(?):694-701. doi:
10.1016/j.ijbiomac.2020.07.027. [PMID: 32645494] - Liyan Di, Yue Li, Likai Nie, Sen Wang, Fanlong Kong. Influence of plant radial oxygen loss in constructed wetland combined with microbial fuel cell on nitrobenzene removal from aqueous solution.
Journal of hazardous materials.
2020 07; 394(?):122542. doi:
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Chemosphere.
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PloS one.
2011 Jan; 6(1):e16661. doi:
10.1371/journal.pone.0016661. [PMID: 21304971] - Lyudmila Lyubenova, Peter Schröder. Plants for waste water treatment--effects of heavy metals on the detoxification system of Typha latifolia.
Bioresource technology.
2011 Jan; 102(2):996-1004. doi:
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Biochemistry research international.
2011; 2011(?):739712. doi:
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PloS one.
2011; 6(9):e24693. doi:
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PloS one.
2011; 6(9):e25144. doi:
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PloS one.
2011; 6(9):e25216. doi:
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BMC biology.
2010 Dec; 8(?):156. doi:
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Glycobiology.
2010 Dec; 20(12):1643-53. doi:
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Standards in genomic sciences.
2010 Nov; 3(3):325-36. doi:
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Viruses.
2010 Nov; 2(11):2409-35. doi:
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BMC plant biology.
2010 Oct; 10(?):232. doi:
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Indian journal of clinical biochemistry : IJCB.
2010 Oct; 25(4):401-4. doi:
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Plant physiology.
2010 Oct; 154(2):874-86. doi:
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Plant physiology.
2010 Aug; 153(4):1464-78. doi:
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International journal of molecular sciences.
2010 Jul; 11(7):2759-69. doi:
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Journal of hazardous materials.
2010 Jun; 178(1-3):1030-4. doi:
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Environmental health perspectives.
2010 Jun; 118(6):856-63. doi:
10.1289/ehp.0901568. [PMID: 20129873] - Xiaoping Hu, Uschara Thumarat, Xian Zhang, Ming Tang, Fusako Kawai. Diversity of polyester-degrading bacteria in compost and molecular analysis of a thermoactive esterase from Thermobifida alba AHK119.
Applied microbiology and biotechnology.
2010 Jun; 87(2):771-9. doi:
10.1007/s00253-010-2555-x. [PMID: 20393707] - Kamila Zurkova, Petr Hainz, Jitka Krystofova, Luda Kutinova, Miloslav Sanda, Sarka Nemeckova. Attenuation of vaccinia virus by the expression of human Flt3 ligand.
Virology journal.
2010 May; 7(?):109. doi:
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Bioconjugate chemistry.
2010 Apr; 21(4):741-7. doi:
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International journal of phytoremediation.
2010 Mar; 12(3):217-25. doi:
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Archives of pharmacal research.
2010 Jan; 33(1):5-15. doi:
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Analytical sciences : the international journal of the Japan Society for Analytical Chemistry.
2010; 26(4):519-23. doi:
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Huan jing ke xue= Huanjing kexue.
2010 Jan; 31(1):147-52. doi:
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Journal of hazardous materials.
2009 Dec; 172(2-3):755-62. doi:
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Bioscience, biotechnology, and biochemistry.
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PloS one.
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Ecotoxicology (London, England).
2009 Aug; 18(6):685-92. doi:
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Mycological research.
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Acta crystallographica. Section D, Biological crystallography.
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The American journal of the medical sciences.
2009 Jun; 337(6):396-406. doi:
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2009 Apr; 15(4):422-30. doi:
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Analytical biochemistry.
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Scandinavian journal of infectious diseases.
2009; 41(8):584-9. doi:
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PloS one.
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PloS one.
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Environmental science & technology.
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