4-Methylbenzoic acid (BioDeep_00001868015)

Main id: BioDeep_00000001734

 

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


4-methylbenzoic acid

  化学式: C8H8O2 (136.0524)
中文名称: 对甲苯甲酸, 4-甲基苯甲酸
  谱图信息: 最多检出来源 () %

分子结构信息

SMILES: CC1=CC=C(C=C1)C(=O)O
InChI: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)


描述信息

p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.
p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.

同义名列表

56 个代谢物同义名

4-Methylbenzoic acid; UNII-A26GBX5SSV; p-Toluic acid; Toluate; WLN: QVR D1; 4-Methylbenzoic acid; 4-Methyl benzoic acid; 4-Methyl-Benzoic Acid; 4-methylbenzenecarboxylic acid; 4-methylbenzic acid; 4-methylbenzoate; 4-Methylbenzoic acid; p-Toluylic acid; Crithminic acid; Toluenecarboxylic acid; 4-Methylbenzoic acid(Flakes or Chunks or Granular); 4-MethylbenzoicAcid; 4-toluic acid; 4-toluic acid, barium salt; 4-toluic acid, cadmium salt; 4-toluic acid, calcium salt; 4-toluic acid, potassium salt; 4-toluic acid, zinc salt; 4MA; 4methylbenzoic acid; 4toluic acid; A26GBX5SSV; AI3-15627; Benzoic acid, 4-methyl-; Benzoic acid, 4methyl; Benzoic acid,4-methyl-; CAS-99-94-5; Crithmic acid; Crithminic acid; NCIOpen2_001271; p-Carboxytoluene; p-methyl benzoic acid; p-methylbenzoate; p-Methylbenzoic acid; p-toluenecarboxylate; P-TOLUIC ACID [MI]; p-Toluic acid, 98%; p-Toluic acid, analytical standard; p-Toluic acid, Vetec(TM) reagent grade, 98%; p-toluic-2,3,5,6-d4 acid; p-toluicacid; p-Toluylic acid; p-Tolylcarboxylic acid; para toluic acid; para-Toluic acid; pCarboxytoluene; pMethylbenzoic acid; pToluylic acid; pTolylcarboxylic acid; rho-toluic acid; SAMPL4, O2; Toluenecarboxylic acid; TOLUIC ACID, P-; Tox21_201091



数据库引用编号

18 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome()

BioCyc()

PlantCyc()

代谢反应

3 个相关的代谢反应过程信息。

Reactome()

BioCyc()

WikiPathways()

Plant Reactome()

INOH()

PlantCyc()

COVID-19 Disease Map()

PathBank()

PharmGKB()

24 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 8 ANXA5, CXCR4, DNAH5, EGFR, PDK1, PFDN5, PLAT, PRX
Peripheral membrane protein 2 ANXA5, PRX
Endosome membrane 1 EGFR
Endoplasmic reticulum membrane 1 EGFR
Nucleus 4 EGFR, PDK1, PFDN5, PRX
cytosol 3 ANXA5, PDK1, PFDN5
Cell membrane 5 ADGRL3, CHRNA7, CXCR4, EGFR, PRX
Cytoplasmic side 1 PRX
ruffle membrane 1 EGFR
Cell projection, axon 1 ADGRL3
Early endosome membrane 1 EGFR
Multi-pass membrane protein 3 ADGRL3, CHRNA7, CXCR4
Synapse 1 CHRNA7
cell junction 4 ADGRL3, CXCR4, EGFR, PRX
cell surface 4 CXCR4, EGFR, PLAT, PLG
glutamatergic synapse 4 ADGRL3, EGFR, PLAT, PLG
Golgi apparatus 1 ATRN
Golgi membrane 1 EGFR
lysosomal membrane 2 EGF, GAA
postsynapse 1 CHRNA7
sarcolemma 1 ANXA5
Lysosome 4 CTSV, CXCR4, GAA, SGSH
endosome 1 EGFR
plasma membrane 10 ADGRL3, ATRN, CHRNA7, CXCR4, EGF, EGFR, GAA, PDK1, PLG, PRX
Membrane 8 ADGRL3, ANXA5, CHRNA7, CXCR4, EGF, EGFR, GAA, HGF
apical plasma membrane 1 EGFR
axon 1 ADGRL3
basolateral plasma membrane 1 EGFR
extracellular exosome 8 ANXA5, ATRN, CXCR4, EGF, GAA, PLAT, PLG, SGSH
Lysosome membrane 1 GAA
extracellular space 8 ATRN, CTSV, EGF, EGFR, HGF, PLAT, PLG, PNLIP
lysosomal lumen 3 CTSV, GAA, SGSH
perinuclear region of cytoplasm 1 EGFR
Schaffer collateral - CA1 synapse 2 PLAT, PLG
mitochondrion 1 PDK1
protein-containing complex 2 CXCR4, EGFR
intracellular membrane-bounded organelle 1 GAA
postsynaptic density 1 PDK1
Single-pass type I membrane protein 2 ATRN, EGFR
Secreted 4 GAA, PLAT, PLG, PNLIP
extracellular region 9 ANXA5, CTSV, DNAH5, EGF, GAA, HGF, PLAT, PLG, PNLIP
[Isoform 2]: Secreted 1 ATRN
Mitochondrion matrix 1 PDK1
mitochondrial matrix 1 PDK1
anchoring junction 2 CXCR4, PRX
motile cilium 1 DNAH5
nuclear membrane 1 EGFR
external side of plasma membrane 3 ANXA5, CXCR4, PLG
cytoplasmic vesicle 2 CXCR4, PDK1
Early endosome 1 CXCR4
apical part of cell 1 PLAT
cell-cell junction 1 ADGRL3
postsynaptic membrane 1 CHRNA7
Membrane raft 1 EGFR
focal adhesion 3 ANXA5, EGFR, PDK1
microtubule 2 DNAH5, DNAH6
intracellular vesicle 1 EGFR
collagen-containing extracellular matrix 2 ANXA5, PLG
secretory granule 1 PLAT
axoneme 2 DNAH5, DNAH6
Postsynaptic cell membrane 1 CHRNA7
Late endosome 1 CXCR4
receptor complex 1 EGFR
Zymogen granule membrane 1 ANXA5
neuron projection 1 CHRNA7
cell leading edge 1 CXCR4
cell projection 1 PDK1
blood microparticle 1 PLG
Cytoplasm, cytoskeleton, cilium axoneme 2 DNAH5, DNAH6
[Isoform 3]: Secreted 1 ATRN
tertiary granule membrane 1 GAA
intermediate filament cytoskeleton 1 PFDN5
basal plasma membrane 1 EGFR
synaptic membrane 1 EGFR
plasma membrane raft 1 CHRNA7
platelet alpha granule lumen 3 EGF, HGF, PLG
pyruvate dehydrogenase complex 1 PDK1
azurophil granule membrane 1 GAA
9+2 motile cilium 2 DNAH5, DNAH6
dynein complex 2 DNAH5, DNAH6
[Isoform 2]: Cytoplasm 1 PRX
vesicle membrane 1 ANXA5
clathrin-coated endocytic vesicle membrane 2 EGF, EGFR
prefoldin complex 1 PFDN5
ficolin-1-rich granule membrane 1 GAA
[Isoform 1]: Cell membrane 2 ATRN, PRX
serine protease inhibitor complex 1 PLAT
multivesicular body, internal vesicle lumen 1 EGFR
Shc-EGFR complex 1 EGFR
acetylcholine-gated channel complex 1 CHRNA7
endothelial microparticle 1 ANXA5
autolysosome lumen 1 GAA
outer dynein arm 1 DNAH5
9+0 motile cilium 1 DNAH5


文献列表

  • Tomonori Miura, Yusuke Kamiya, Shotaro Uehara, Norie Murayama, Makiko Shimizu, Hiroshi Suemizu, Hiroshi Yamazaki. Hepatotoxicological potential of P-toluic acid in humanised-liver mice investigated using simplified physiologically based pharmacokinetic models. Xenobiotica; the fate of foreign compounds in biological systems. 2021 Jun; 51(6):636-642. doi: 10.1080/00498254.2021.1908643. [PMID: 33781181]
  • Palanisamy Sathyadevi, Paramasivam Krishnamoorthy, Rachel R Butorac, Alan H Cowley, Nattamai S P Bhuvanesh, Nallasamy Dharmaraj. Effect of substitution and planarity of the ligand on DNA/BSA interaction, free radical scavenging and cytotoxicity of diamagnetic Ni(II) complexes: a systematic investigation. Dalton transactions (Cambridge, England : 2003). 2011 Oct; 40(38):9690-702. doi: 10.1039/c1dt10767d. [PMID: 21858314]
  • Dario Cattaneo, Sara Baldelli, Francesca Conti, Valeria Cozzi, Emilio Clementi. Determination of linezolid in human plasma by high-performance liquid chromatography with ultraviolet detection. Therapeutic drug monitoring. 2010 Aug; 32(4):520-4. doi: 10.1097/ftd.0b013e3181d5eeee. [PMID: 20300050]
  • Peter Terry Mayer, Tian-Xiang Xiang, Riku Niemi, Bradley D Anderson. A hydrophobicity scale for the lipid bilayer barrier domain from peptide permeabilities: nonadditivities in residue contributions. Biochemistry. 2003 Feb; 42(6):1624-36. doi: 10.1021/bi026701l. [PMID: 12578376]
  • Tian-xiang Xiang, Bradley D Anderson. A computer simulation of functional group contributions to free energy in water and a DPPC lipid bilayer. Biophysical journal. 2002 Apr; 82(4):2052-66. doi: 10.1016/s0006-3495(02)75553-7. [PMID: 11916862]
  • Peter T Mayer, Bradley D Anderson. Transport across 1,9-decadiene precisely mimics the chemical selectivity of the barrier domain in egg lecithin bilayers. Journal of pharmaceutical sciences. 2002 Mar; 91(3):640-6. doi: 10.1002/jps.10067. [PMID: 11920749]
  • M Sakurai, M Ohsako, M Nagano, C Nakamura, O Tsuzuki, M Ichikawa, Y Matsumoto. [Effect of human serum albumin on transport of drugs through human erythrocyte membranes]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1996 Aug; 116(8):630-8. doi: 10.1248/yakushi1947.116.8_630. [PMID: 8831264]
  • T X Xiang, B D Anderson. Substituent contributions to the transport of substituted p-toluic acids across lipid bilayer membranes. Journal of pharmaceutical sciences. 1994 Oct; 83(10):1511-8. doi: 10.1002/jps.2600831027. [PMID: 7884677]
  • E Duque, S Marqués, J L Ramos. Mineralization of p-methyl-14C-benzoate in soils by Pseudomonas putida (pWW0). Microbial releases : viruses, bacteria, fungi. 1993 Dec; 2(3):175-7. doi: ". [PMID: 8111534]
  • 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]
  • T M Lee, H Moltz. The maternal pheromone and deoxycholic acid in the survival of preweanling rats. Physiology & behavior. 1984 Dec; 33(6):931-5. doi: 10.1016/0031-9384(84)90232-4. [PMID: 6537523]
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