4-Nitrobenzoic acid (BioDeep_00000002368)

 

Secondary id: BioDeep_00001868360

human metabolite blood metabolite


代谢物信息卡片


4-Nitrobenzoic acid, silver salt

化学式: C7H5NO4 (167.0219)
中文名称: 对硝基苯甲酸, 4-硝基苯甲酸
谱图信息: 最多检出来源 Homo sapiens(blood) 44.92%

分子结构信息

SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3571; ORIGINAL_PRECURSOR_SCAN_NO 3570
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3551; ORIGINAL_PRECURSOR_SCAN_NO 3550
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3569; ORIGINAL_PRECURSOR_SCAN_NO 3568
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3553; ORIGINAL_PRECURSOR_SCAN_NO 3552
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3596; ORIGINAL_PRECURSOR_SCAN_NO 3594
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3589; ORIGINAL_PRECURSOR_SCAN_NO 3588

同义名列表

17 个代谢物同义名

4-Nitrobenzoic acid, silver salt; 4-Nitrobenzoic acid, sodium salt; p-Nitrobenzenecarboxylic acid; p-Nitrobenzenecarboxylate; 1-Carboxy-4-nitrobenzene; Para-nitrobenzoic acid; p-Nitrodracylic acid; 4-Nitrodracylic acid; 4-NITROBENZOIC ACID; p-Nitrobenzoic acid; Nitrodracylic acid; p-Nitrodracylate; 4-Nitrodracylate; 4-Nitrobenzoate; p-Nitrobenzoate; Nitrodracylate; 4-Nitrobenzoic acid



数据库引用编号

20 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)

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。

亚细胞结构定位 关联基因列表
Cytoplasm 10 CAT, CHEK2, CYP2B6, CYP2C19, DAO, HPGDS, NQO1, NTRK2, XDH, YBX1
Peripheral membrane protein 2 CYP2B6, DAO
Endosome membrane 1 NTRK2
Endoplasmic reticulum membrane 2 CYP2B6, CYP2C19
Nucleus 4 CHEK2, NQO1, PCNA, YBX1
cytosol 9 CAT, DAO, HPGDS, LIPE, MB, NQO1, NTRK2, XDH, YBX1
dendrite 2 NQO1, NTRK2
nuclear body 1 PCNA
centrosome 1 PCNA
nucleoplasm 5 CD2, CHEK2, HPGDS, PCNA, YBX1
Cell membrane 5 CD2, DAO, LIPE, NTM, NTRK2
Cell projection, axon 1 NTRK2
Cytoplasmic granule 1 YBX1
Early endosome membrane 1 NTRK2
Synapse 2 NQO1, YBX1
cell surface 1 CD2
Golgi apparatus 2 CD2, CHEK2
neuronal cell body 1 NQO1
Cytoplasm, cytosol 3 DAO, LIPE, NQO1
Lysosome 1 CTSV
plasma membrane 7 BTC, CD2, CYP2C19, DAO, NTM, NTRK2, YBX1
presynaptic active zone 1 DAO
terminal bouton 1 NTRK2
Membrane 5 BTC, CAT, LIPE, NQO1, NTRK2
axon 1 NTRK2
caveola 1 LIPE
extracellular exosome 5 CAT, DAO, MB, PCNA, YBX1
endoplasmic reticulum 1 YBX1
extracellular space 4 BTC, CTSV, DAO, XDH
lysosomal lumen 1 CTSV
perinuclear region of cytoplasm 1 NTRK2
bicellular tight junction 1 DAO
mitochondrion 1 CAT
protein-containing complex 2 CAT, CD2
intracellular membrane-bounded organelle 5 CAT, CYP2B6, CYP2C19, HPGDS, YBX1
Microsome membrane 1 CYP2B6
postsynaptic density 1 NTRK2
Single-pass type I membrane protein 2 CD2, NTRK2
Secreted 3 DAO, PRB1, YBX1
extracellular region 8 BTC, CAT, CD2, CTSV, DAO, NTM, PRB1, YBX1
cytoplasmic side of plasma membrane 1 CD2
mitochondrial matrix 1 CAT
Extracellular side 1 DAO
external side of plasma membrane 1 CD2
dendritic spine 1 NTRK2
sarcoplasm 1 MB
Cytoplasm, P-body 1 YBX1
P-body 1 YBX1
Early endosome 1 NTRK2
cell-cell junction 1 CD2
Cytoplasm, perinuclear region 1 NTRK2
focal adhesion 1 CAT
Peroxisome 3 CAT, DAO, XDH
sarcoplasmic reticulum 1 XDH
Peroxisome matrix 2 CAT, DAO
peroxisomal matrix 2 CAT, DAO
peroxisomal membrane 1 CAT
PML body 1 CHEK2
receptor complex 1 NTRK2
chromatin 1 PCNA
cell projection 1 DAO
Secreted, extracellular space 1 DAO
nuclear replication fork 1 PCNA
chromosome, telomeric region 1 PCNA
Lipid-anchor, GPI-anchor 1 NTM
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
Cell projection, dendrite 1 NTRK2
cytoplasmic stress granule 1 YBX1
side of membrane 1 NTM
replication fork 1 PCNA
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 1 CAT
male germ cell nucleus 1 PCNA
axon terminus 1 NTRK2
specific granule lumen 1 DAO
Secreted, extracellular exosome 1 YBX1
nuclear lamina 1 PCNA
clathrin-coated endocytic vesicle membrane 1 BTC
ribonucleoprotein complex 1 YBX1
U12-type spliceosomal complex 1 YBX1
CRD-mediated mRNA stability complex 1 YBX1
histone pre-mRNA 3'end processing complex 1 YBX1
cyclin-dependent protein kinase holoenzyme complex 1 PCNA
Cytoplasm, sarcoplasm 1 MB
catalase complex 1 CAT
PCNA complex 1 PCNA
PCNA-p21 complex 1 PCNA
replisome 1 PCNA


文献列表

  • Radu L Sumalan, Liliana Halip, Massimo E Maffei, Lilia Croitor, Anatolii V Siminel, Izidora Radulov, Renata M Sumalan, Manuela E Crisan. Bioprospecting Fluorescent Plant Growth Regulators from Arabidopsis to Vegetable Crops. International journal of molecular sciences. 2021 Mar; 22(6):. doi: 10.3390/ijms22062797. [PMID: 33802041]
  • Eriko Taniai, Hitomi Hayashi, Atsunori Yafune, Maiko Watanabe, Hirotoshi Akane, Kazuhiko Suzuki, Kunitoshi Mitsumori, Makoto Shibutani. Cellular distribution of cell cycle-related molecules in the renal tubules of rats treated with renal carcinogens for 28 days: relationship between cell cycle aberration and carcinogenesis. Archives of toxicology. 2012 Sep; 86(9):1453-64. doi: 10.1007/s00204-012-0829-z. [PMID: 22411272]
  • Eva Arrebola, Víctor J Carrión, Francisco M Cazorla, Alejandro Pérez-García, Jesús Murillo, Antonio de Vicente. Characterisation of the mgo operon in Pseudomonas syringae pv. syringae UMAF0158 that is required for mangotoxin production. BMC microbiology. 2012 Jan; 12(?):10. doi: 10.1186/1471-2180-12-10. [PMID: 22251433]
  • Byoung-Jun Kim, Su-Yeon Yi, Tae-Sun Shim, Seung Yeon Do, Hee-Kyung Yu, Young-Gil Park, Yoon-Hoh Kook, Bum-Joon Kim. Discovery of a novel hsp65 genotype within Mycobacterium massiliense associated with the rough colony morphology. PloS one. 2012; 7(6):e38420. doi: 10.1371/journal.pone.0038420. [PMID: 22693637]
  • Catarina M Quinzii, Saba Tadesse, Ali Naini, Michio Hirano. Effects of inhibiting CoQ10 biosynthesis with 4-nitrobenzoate in human fibroblasts. PloS one. 2012; 7(2):e30606. doi: 10.1371/journal.pone.0030606. [PMID: 22359546]
  • Rokeya Sultana Rekha, S M Mostafa Kamal, Peter Andersen, Zeaur Rahim, Md Imranul Hoq, Gul Ara, Jan Andersson, David Sack, Rubhana Raqib. Validation of the ALS assay in adult patients with culture confirmed pulmonary tuberculosis. PloS one. 2011 Jan; 6(1):e16425. doi: 10.1371/journal.pone.0016425. [PMID: 21283655]
  • Evagelia C Laiakis, Gerard A J Morris, Albert J Fornace, Stephen R C Howie. Metabolomic analysis in severe childhood pneumonia in the Gambia, West Africa: findings from a pilot study. PloS one. 2010 Sep; 5(9):. doi: 10.1371/journal.pone.0012655. [PMID: 20844590]
  • Ulrika Forsman, Mats Sjöberg, Mikael Turunen, Pavel J Sindelar. 4-Nitrobenzoate inhibits coenzyme Q biosynthesis in mammalian cell cultures. Nature chemical biology. 2010 Jul; 6(7):515-7. doi: 10.1038/nchembio.372. [PMID: 20526342]
  • Bedia Koçyiğit-Kaymakçioğlu, Seda Unsalan, S Güniz Küçükgüzel, Göksel Sener, Sevim Rollas. HPLC analysis of in vivo metabolites of 4-nitrobenzoic acid [(5-nitro-2-thiopheneyl)methylene]hydrazide in rats. European journal of drug metabolism and pharmacokinetics. 2007 Oct; 32(4):197-203. doi: 10.1007/bf03191004. [PMID: 18348468]
  • Lujun Zhang, Dongming Xing, Yi Ding, Rufeng Wang, Xueli Wang, Lijun Du. A chromatographic method for baicalin quantification in rat thalamus. Biomedical chromatography : BMC. 2005 Sep; 19(7):494-7. doi: 10.1002/bmc.467. [PMID: 15651095]
  • Feng Qiu, Zhong-Gui He, Hao-Zhi Li. HPLC analyses and pharmacokinetic studies of baicalin and oxymatrine in rabbits. Die Pharmazie. 2003 Sep; 58(9):616-9. doi: NULL. [PMID: 14531454]
  • . Toxicology and carcinogenesis studies of p-nitrotoluene (CAS no. 99-99-0) in F344/N rats and B6C3F(1) mice (feed studies). National Toxicology Program technical report series. 2002 May; ?(498):1-277. doi: . [PMID: 12118261]
  • J Suh, S J Moon. Artificial peptidase with an active site comprising a Cu(II) center and a proximal guanidinium ion. A carboxypeptidase A analogue. Inorganic chemistry. 2001 Sep; 40(19):4890-5. doi: 10.1021/ic001165b. [PMID: 11531436]
  • K D Williams, J Dunnick, J Horton, A Greenwell, S R Eldridge, M Elwell, R C Sills. P-Nitrobenzoic acid alpha2u nephropathy in 13-week studies is not associated with renal carcinogenesis in 2-year feed studies. Toxicologic pathology. 2001 Sep; 29(5):507-13. doi: 10.1080/019262301317226302. [PMID: 11695567]
  • D V Greathouse, R L Goforth, T Crawford, P C Van Der Wel, J A Killian. Optimized aminolysis conditions for cleavage of N-protected hydrophobic peptides from solid-phase resins. The journal of peptide research : official journal of the American Peptide Society. 2001 Jun; 57(6):519-27. doi: 10.1034/j.1399-3011.2001.00849.x. [PMID: 11437955]
  • NULL. Reproductive toxicology. p-Nitrobenzoic acid. Environmental health perspectives. 1997 Feb; 105 Suppl 1(?):327-8. doi: NULL. [PMID: 9114347]
  • C X Gao, D Schmalzing, I S Krull. A mixed-bed, multi-derivatization approach using polymeric reagents for derivatizations of amines in high performance liquid chromatographic detection. Biomedical chromatography : BMC. 1991 Jan; 5(1):23-31. doi: 10.1002/bmc.1130050107. [PMID: 2032019]
  • M M Ames, C D Selassie, L C Woodson, J A Van Loon, C Hansch, R M Weinshilboum. Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates. Journal of medicinal chemistry. 1986 Mar; 29(3):354-8. doi: 10.1021/jm00153a009. [PMID: 3950915]
  • M Petchey, M J Crabbe. Analysis of carbohydrates in lens, erythrocytes, and plasma by high-performance liquid chromatography of nitrobenzoate derivatives. Journal of chromatography. 1984 Apr; 307(1):180-4. doi: 10.1016/s0378-4347(00)84084-0. [PMID: 6725484]
  • E J Kuzniar, S P James. Influence of the gut microflora on the metabolism of 4-nitrobenzoic acid in the marmoset. Xenobiotica; the fate of foreign compounds in biological systems. 1981 Oct; 11(10):675-83. doi: 10.3109/00498258109049087. [PMID: 6976659]
  • G O Emerole, M R French, R T Williams. Effect of p-nitro-substitution on the metabolism of benzoic acid in the Indian fruit bat. Biochemistry and experimental biology. 1977; 13(4):385-90. doi: . [PMID: 16296168]
  • R A Scherrer, S M Howard. Use of distribution coefficients in quantitative structure-activity relationships. Journal of medicinal chemistry. 1977 Jan; 20(1):53-8. doi: 10.1021/jm00211a010. [PMID: 13215]