4,6-Dinitro-O-cresol (BioDeep_00000014845)

human metabolite blood metabolite

代谢物信息卡片

4,6-Dinitro-O-cresol, potassium salt

化学式: C7H6N2O5 (198.0276706)
中文名称: 4,6-二硝基邻甲酚
谱图信息: 最多检出来源 Homo sapiens(blood) 12.14%

分子结构信息

SMILES: CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
InChI: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4289; ORIGINAL_PRECURSOR_SCAN_NO 4287
CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4377
CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4288; ORIGINAL_PRECURSOR_SCAN_NO 4286
CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4314; ORIGINAL_PRECURSOR_SCAN_NO 4311
CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4293; ORIGINAL_PRECURSOR_SCAN_NO 4289
CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4281; ORIGINAL_PRECURSOR_SCAN_NO 4279
D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents
D010575 - Pesticides > D006540 - Herbicides
D016573 - Agrochemicals

同义名列表

26 个代谢物同义名

4,6-Dinitro-O-cresol, potassium salt; 4,6-Dinitro-O-cresol, lead(2+) salt; 4,6-Dinitro-O-cresol, sodium salt; 4,6-Dinitro-O-cresol, barium salt; 4,6-Dinitro-O-cresol, lead salt; 3,5-Dinitro-2-hydroxytoluene; 6-Methyl-2,4-dinitrophenol; 2-Methyl-4,6-dinitrophenol; 2,4-Dinitro-6-methylphenol; 4,6-Dinitro-ortho-cresol; Hedolit, potassium salt; Hedolit, lead(2+) salt; Hedolit, ammonium salt; 4,6-Dinitro-O-cresol; 4,6-Dinitro-2-cresol; Hedolit, barium salt; Dinitro-ortho-cresol; 2,4-Dinitro-O-cresol; Hedolit, sodium salt; Hedolit, lead salt; Antinonnin; DNOC CPD; Hedolit; dinitro; Flavin; DNOC

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:39349
KEGG: C18653
PubChem: 10800
HMDB: HMDB0245221
Metlin: METLIN72439
ChEMBL: CHEMBL419564
Wikipedia: Dinitro-ortho-cresol
chemspider: 10343
CAS: 1219804-69-9
CAS: 534-52-1
MoNA: LU023055
MoNA: LU023053
MoNA: LU023054
MoNA: LU023056
MoNA: LU023051
MoNA: LU023052
PubChem: 124489327
RefMet: 4,6-Dinitro-o-cresol

分类词条

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)

2 个相关的物种来源信息

210143 - Corchorus capsularis: 10.1016/S0031-9422(00)84103-5
9606 - Homo sapiens: -

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

Rafael Rivera-Lugo, Shuo Huang, Frank Lee, Raphaël Méheust, Anthony T Iavarone, Ashley M Sidebottom, Eric Oldfield, Daniel A Portnoy, Samuel H Light. Distinct Energy-Coupling Factor Transporter Subunits Enable Flavin Acquisition and Extracytosolic Trafficking for Extracellular Electron Transfer in Listeria monocytogenes. mBio. 2023 02; 14(1):e0308522. doi: 10.1128/mbio.03085-22. [PMID: 36744898]
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Christina Krönauer, Thomas Lahaye. The flavin monooxygenase Bs3 triggers cell death in plants, impairs growth in yeast and produces H2O2 in vitro. PloS one. 2021; 16(8):e0256217. doi: 10.1371/journal.pone.0256217. [PMID: 34411175]
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Ya Yang, Yue Hu, Yanling Yue, Yanan Pu, Xin Yin, Yuanwen Duan, Aixia Huang, Yunqiang Yang, Yongping Yang. Expression profiles of glucosinolate biosynthetic genes in turnip (Brassica rapa var. rapa) at different developmental stages and effect of transformed flavin-containing monooxygenase genes on hairy root glucosinolate content. Journal of the science of food and agriculture. 2020 Feb; 100(3):1064-1071. doi: 10.1002/jsfa.10111. [PMID: 31713870]
Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
Stephan Endres, Marcus Wingen, Joaquim Torra, Rubén Ruiz-González, Tino Polen, Gabriela Bosio, Nora Lisa Bitzenhofer, Fabienne Hilgers, Thomas Gensch, Santi Nonell, Karl-Erich Jaeger, Thomas Drepper. An optogenetic toolbox of LOV-based photosensitizers for light-driven killing of bacteria. Scientific reports. 2018 10; 8(1):15021. doi: 10.1038/s41598-018-33291-4. [PMID: 30301917]
Kyung Taek Heo, Byeongsan Lee, Sangkeun Son, Jong Seog Ahn, Jae-Hyuk Jang, Young-Soo Hong. Production of Bioactive 3'-Hydroxystilbene Compounds Using the Flavin-Dependent Monooxygenase Sam5. Journal of microbiology and biotechnology. 2018 Jul; 28(7):1105-1111. doi: 10.4014/jmb.1804.04007. [PMID: 30021423]
Amrita B Hazra, David P Ballou, Michiko E Taga. Unique Biochemical and Sequence Features Enable BluB To Destroy Flavin and Distinguish BluB from the Flavin Monooxygenase Superfamily. Biochemistry. 2018 03; 57(11):1748-1757. doi: 10.1021/acs.biochem.7b01193. [PMID: 29457884]
Na Sa, Renu Rawat, Chelsea Thornburg, Kevin D Walker, Sanja Roje. Identification and characterization of the missing phosphatase on the riboflavin biosynthesis pathway in Arabidopsis thaliana. The Plant journal : for cell and molecular biology. 2016 12; 88(5):705-716. doi: 10.1111/tpj.13291. [PMID: 27490826]
Vincenzo Crescente, Sinead M Holland, Sapna Kashyap, Elena Polycarpou, Edith Sim, Ali Ryan. Identification of novel members of the bacterial azoreductase family in Pseudomonas aeruginosa. The Biochemical journal. 2016 Mar; 473(5):549-58. doi: 10.1042/bj20150856. [PMID: 26621870]
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