4-hydroxylamino-2,6-dinitrotoluene (BioDeep_00000011156)
Secondary id: BioDeep_00001872259
human metabolite
代谢物信息卡片
N-(4-methyl-3,5-dinitrophenyl)hydroxylamine
化学式: C7H7N3O5 (213.03856919999998)
中文名称:
谱图信息:
最多检出来源 Viridiplantae(plant) 0.91%
分子结构信息
SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])NO)[N+](=O)[O-]
InChI: InChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3
描述信息
4-hydroxylamino-2,6-dinitrotoluene, also known as 4-hadnt, is a member of the class of compounds known as dinitrotoluenes. Dinitrotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. 4-hydroxylamino-2,6-dinitrotoluene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxylamino-2,6-dinitrotoluene can be found in a number of food items such as elderberry, pigeon pea, tea leaf willow, and tree fern, which makes 4-hydroxylamino-2,6-dinitrotoluene a potential biomarker for the consumption of these food products.
同义名列表
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:20408
- KEGG: C16392
- PubChem: 5375469
- HMDB: HMDB0304181
- Metlin: METLIN71180
- MetaCyc: CPD-10457
- foodb: FDB030503
- chemspider: 4524947
- CAS: 59283-75-9
- PMhub: MS000025115
- PubChem: 47205690
- NIKKAJI: J652.388I
- KNApSAcK: 20408
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
90 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(2)
- 2,4,6-trinitrotoluene degradation:
4-amino-2,6-dinitrotoluene + UDP-α-D-glucose ⟶ 4-amino-2,6-dinitrotoluene glucoside + H+ + UDP - 2,4,6-trinitrotoluene degradation:
4-hydroxylamino-2,6-dinitrotoluene + A(H2) + H+ ⟶ 4-amino-2,6-dinitrotoluene + A + H2O
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(88)
- 2,4,6-trinitrotoluene degradation:
4-hydroxylamino-2,6-dinitrotoluene + A(H2) + H+ ⟶ 4-amino-2,6-dinitrotoluene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
4-amino-2,6-dinitrotoluene + UDP-α-D-glucose ⟶ 4-amino-2,6-dinitrotoluene glucoside + H+ + UDP - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 4-nitroso-2,6-dinitrotoluene + A + H2O - 2,4,6-trinitrotoluene degradation:
4-hydroxylamino-2,6-dinitrotoluene + A(H2) + H+ ⟶ 4-amino-2,6-dinitrotoluene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 4-nitroso-2,6-dinitrotoluene + A + H2O - 2,4,6-trinitrotoluene degradation:
A(H2) + TNT ⟶ 2-methyl-1,5-dinitro-3-nitrosobenzene + A + H2O
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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
- Fernando Gandia-Herrero, Astrid Lorenz, Tony Larson, Ian A Graham, Dianna J Bowles, Elizabeth L Rylott, Neil C Bruce. Detoxification of the explosive 2,4,6-trinitrotoluene in Arabidopsis: discovery of bifunctional O- and C-glucosyltransferases.
The Plant journal : for cell and molecular biology.
2008 Dec; 56(6):963-74. doi:
10.1111/j.1365-313x.2008.03653.x. [PMID: 18702669] - Nerissa K Hannink, Murali Subramanian, Susan J Rosser, Amrik Basran, James A H Murray, Jacqueline V Shanks, Neil C Bruce. Enhanced transformation of tnt by tobacco plants expressing a bacterial nitroreductase.
International journal of phytoremediation.
2007 Sep; 9(5):385-401. doi:
10.1080/15226510701603916. [PMID: 18246725] - Christopher F Hoehamer, N Lee Wolfe, Karl Erik L Eriksson. Biotransformation of 2,4,6-trinitrotoluene (TNT) by the fungus Fusarium oxysporum.
International journal of phytoremediation.
2006; 8(2):95-105. doi:
10.1080/15226510600678423. [PMID: 16924959] - Christopher F Hoehamer, N Lee Wolfe, Karl Erik L Eriksson. Differences in the biotransformation of 2,4,6-trinitrotoluene (TNT) between wild and axenically grown isolates of Myriophyllum aquaticum.
International journal of phytoremediation.
2006; 8(2):107-15. doi:
10.1080/15226510600678431. [PMID: 16924960] - Chuanyue Wang, Delina Y Lyon, Joseph B Hughes, George N Bennett. Role of hydroxylamine intermediates in the phytotransformation of 2,4,6-trinitrotoluene by Myriophyllum aquaticum.
Environmental science & technology.
2003 Aug; 37(16):3595-600. doi:
10.1021/es030010a. [PMID: 12953871] - Shino Homma-Takeda, Yusuke Hiraku, Yasuhiro Ohkuma, Shinji Oikawa, Mariko Murata, Kazuhiko Ogawa, Taeko Iwamuro, Song Li, Gui Fan Sun, Yoshito Kumagai, Nobuhiro Shimojo, Shosuke Kawanishi. 2,4,6-trinitrotoluene-induced reproductive toxicity via oxidative DNA damage by its metabolite.
Free radical research.
2002 May; 36(5):555-66. doi:
10.1080/10715760290025933. [PMID: 12150543]