Fleet-X (BioDeep_00000860925)

   


代谢物信息卡片


1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]

化学式: C9H12 (120.0939)
中文名称: 1,3,5-三甲苯, 均三甲苯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CC(=CC(=C1)C)C
InChI: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3

描述信息

同义名列表

29 个代谢物同义名

1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]; InChI=1\C9H12\c1-7-4-8(2)6-9(3)5-7\h4-6H,1-3H; Benzene, 1,3,5-trimethyl-; Trimethylbenzene, 1,3,5-; BENZENE,1,3,5-TRIMETHYL; 1,3,5-Trimethylbenzene; Sym-trimethylbenzene; 3,5-Dimethyltoluene; S-Trimethylbenzene; EINECS 203-604-4; Trimethylbenzol; 442236_SUPELCO; WLN: 1R C1 E1; M7200_ALDRICH; 63911_FLUKA; 63908_FLUKA; 63910_FLUKA; CHEBI:34833; MESITYLENE; AI3-23973; NSC 9273; 108-67-8; HSDB 92; Fleet-X; NSC9273; C14508; UN2325; Mesitylene; Mesitylene



数据库引用编号

7 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)

12 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 ALDH3B1, CYP1A1, CYP2E1, DBT, GRHPR, INTS5, MUC1, PEG10
Peripheral membrane protein 3 CRCP, CYP1A1, CYP2E1
Endoplasmic reticulum membrane 3 CYP1A1, CYP2E1, EPHX1
Nucleus 5 CRCP, INTS5, MGA, MUC1, PEG10
cytosol 6 ALDH3B1, CRCP, DBT, GRHPR, INTS5, PEG10
nucleoplasm 4 CRCP, INTS5, MGA, PEG10
Cell membrane 4 ALDH3B1, CHRNA7, CRCP, MUC1
Lipid-anchor 1 ALDH3B1
Cytoplasmic side 1 CRCP
Early endosome membrane 1 GPNMB
Multi-pass membrane protein 2 CHRNA7, INTS5
Synapse 1 CHRNA7
mitochondrial inner membrane 2 CYP1A1, CYP2E1
postsynapse 1 CHRNA7
acrosomal vesicle 1 CRCP
plasma membrane 8 ALDH3B1, CHRNA7, CRCP, GPNMB, ME2, ME3, MGA, MUC1
Membrane 7 CHRNA7, GPNMB, INTS5, ME2, ME3, MUC1, PEG10
apical plasma membrane 2 MGA, MUC1
extracellular exosome 5 ALDH2, ALDH3B1, GRHPR, MGA, MUC1
extracellular space 3 CXCL8, IL6, MUC1
mitochondrion 6 ALDH2, CYP1A1, DBT, GRHPR, ME2, ME3
intracellular membrane-bounded organelle 3 CYP1A1, CYP2E1, ME2
Microsome membrane 3 CYP1A1, CYP2E1, EPHX1
Single-pass type I membrane protein 2 GPNMB, MUC1
Secreted 2 CXCL8, IL6
extracellular region 2 CXCL8, IL6
Single-pass membrane protein 2 ME2, ME3
Mitochondrion matrix 3 ALDH2, DBT, ME2
mitochondrial matrix 4 ALDH2, DBT, ME2, ME3
Nucleus membrane 1 INTS5
nuclear membrane 1 INTS5
Extracellular vesicle 1 PEG10
microtubule cytoskeleton 1 DBT
Melanosome membrane 1 GPNMB
vesicle 2 ALDH3B1, MUC1
postsynaptic membrane 1 CHRNA7
Apical cell membrane 1 MUC1
Mitochondrion inner membrane 2 CYP1A1, CYP2E1
mitochondrial nucleoid 1 DBT
peroxisomal matrix 1 GRHPR
Postsynaptic cell membrane 1 CHRNA7
neuron projection 1 CHRNA7
chromatin 2 MGA, MUC1
specific granule membrane 1 ALDH3B1
tertiary granule membrane 1 MGA
plasma membrane raft 1 CHRNA7
secretory granule membrane 1 ALDH3B1
Golgi lumen 1 MUC1
endoplasmic reticulum lumen 1 IL6
MLL1 complex 1 MGA
Single-pass type III membrane protein 1 EPHX1
RNA polymerase III complex 1 CRCP
oxoglutarate dehydrogenase complex 1 DBT
ficolin-1-rich granule membrane 1 MGA
DNA polymerase III complex 1 CRCP
oxidoreductase complex 1 DBT
acetylcholine-gated channel complex 1 CHRNA7
catalytic complex 1 GRHPR
Extracellular vesicle membrane 1 PEG10
interleukin-6 receptor complex 1 IL6
branched-chain alpha-ketoacid dehydrogenase complex 1 DBT
integrator complex 1 INTS5


文献列表

  • Sebastian Schramm, Maria Fe Angela Comia Boco, Sarah Manzer, Oliver König, Tong Zhang, Fatima Tuz Zohora Mony, Adebimpe Nafisat Adedeji-Badmus, Brigitte Poppenberger, Wilfried Rozhon. Determination of the [15N]-Nitrate/[14N]-Nitrate Ratio in Plant Feeding Studies by GC⁻MS. Molecules (Basel, Switzerland). 2019 Apr; 24(8):. doi: 10.3390/molecules24081531. [PMID: 31003443]
  • Mitsuo Miyazawa, Hiroshi Nakahashi, Yusei Kashima, Ryota Motooka, Nobuyuki Hara, Hiroki Nakagawa, Takashi Yoshii, Atsushi Usami, Shinsuke Marumoto. Chemical Composition and Aroma Evaluation of Essential Oils from Skunk Cabbage (Symplocarpus foetidus). Journal of oleo science. 2015; 64(12):1329-36. doi: 10.5650/jos.ess15161. [PMID: 26632948]
  • Shiyu Chen, Julia Morales-Sanfrutos, Alessandro Angelini, Brian Cutting, Christian Heinis. Structurally diverse cyclisation linkers impose different backbone conformations in bicyclic peptides. Chembiochem : a European journal of chemical biology. 2012 May; 13(7):1032-8. doi: 10.1002/cbic.201200049. [PMID: 22492661]
  • Urszula Kotowska, Maciej Żalikowski, Valery A Isidorov. HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge. Environmental monitoring and assessment. 2012 May; 184(5):2893-907. doi: 10.1007/s10661-011-2158-8. [PMID: 21688031]
  • E-E Chang, Wang Wei-Chi, Zeng Li-Xuan, Chiang Hung-Lung. Health risk assessment of exposure to selected volatile organic compounds emitted from an integrated iron and steel plant. Inhalation toxicology. 2010 Dec; 22 Suppl 2(?):117-25. doi: 10.3109/08958378.2010.507636. [PMID: 20828338]
  • Andreas Thalassitis, Dimitra J Hadjipavlou-Litina, Konstantinos E Litinas, Panagiotis Miltiadou. Synthesis of modified homo-N-nucleosides from the reactions of mesityl nitrile oxide with 9-allylpurines and their influence on lipid peroxidation and thrombin inhibition. Bioorganic & medicinal chemistry letters. 2009 Nov; 19(22):6433-6. doi: 10.1016/j.bmcl.2009.09.040. [PMID: 19811914]
  • Christian Heinis, Trevor Rutherford, Stephan Freund, Greg Winter. Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nature chemical biology. 2009 Jul; 5(7):502-7. doi: 10.1038/nchembio.184. [PMID: 19483697]
  • Wen-Hsi Cheng. Using a biological aerated filter to treat mixed water-borne volatile organic compounds and assessing its emissions. Journal of environmental sciences (China). 2009; 21(11):1497-502. doi: 10.1016/s1001-0742(08)62446-8. [PMID: 20108681]
  • Sarah J Jackson, Mario Siervo, Emma Persson, Louise M McKenna, Leslie J C Bluck. A novel derivative for the assessment of urinary and salivary nitrate using gas chromatography/mass spectrometry. Rapid communications in mass spectrometry : RCM. 2008 Dec; 22(24):4158-64. doi: 10.1002/rcm.3841. [PMID: 19039799]
  • Beata Janasik, Marek Jakubowski, Piotr Jałowiecki. Excretion of unchanged volatile organic compounds (toluene, ethylbenzene, xylene and mesitylene) in urine as result of experimental human volunteer exposure. International archives of occupational and environmental health. 2008 Feb; 81(4):443-9. doi: 10.1007/s00420-007-0233-9. [PMID: 17680265]
  • K Jones, M Meldrum, E Baird, S Cottrell, P Kaur, N Plant, D Dyne, J Cocker. Biological monitoring for trimethylbenzene exposure: a human volunteer study and a practical example in the workplace. The Annals of occupational hygiene. 2006 Aug; 50(6):593-8. doi: 10.1093/annhyg/mel016. [PMID: 16549407]
  • S Nogué, P Sanz, J C Borondo, M Picón, G de la Red, G Mestre. Fatal lipoid pneumonia due to bronco-aspiration of isoparaffin after ingestion of an organophosphate insecticide. Acta anaesthesiologica Scandinavica. 2003 Jul; 47(6):777-9. doi: 10.1034/j.1399-6576.2003.00122.x. [PMID: 12803600]
  • P Kostrzewski, A Wiaderna-Brycht, B Czerski. Biological monitoring of experimental human exposure to trimethylbenzene. The Science of the total environment. 1997 Jun; 199(1-2):73-81. doi: 10.1016/s0048-9697(97)05504-6. [PMID: 9200849]
  • J Järnberg, G Johanson, A Löf. Toxicokinetics of inhaled trimethylbenzenes in man. Toxicology and applied pharmacology. 1996 Oct; 140(2):281-8. doi: 10.1006/taap.1996.0223. [PMID: 8887444]
  • P Kostrewski, A Wiaderna-Brycht. Kinetics of elimination of mesitylene and 3,5-dimethylbenzoic acid after experimental human exposure. Toxicology letters. 1995 May; 77(1-3):259-64. doi: 10.1016/0378-4274(95)03305-x. [PMID: 7618149]
  • M J Dunphy, D D Goble, D J Smith. Nitrate analysis by capillary gas chromatography. Analytical biochemistry. 1990 Feb; 184(2):381-7. doi: 10.1016/0003-2697(90)90697-8. [PMID: 2327580]
  • K Pyykkö. Effects of methylbenzenes on microsomal enzymes in rat liver, kidney and lung. Biochimica et biophysica acta. 1980 Nov; 633(1):1-9. doi: 10.1016/0304-4165(80)90032-x. [PMID: 6778508]
  • P I Mikulski, R Wiglusz. The comparative metabolism of mesitylene, pseudocumene, and hemimellitene in rats. Toxicology and applied pharmacology. 1975 Jan; 31(1):21-31. doi: 10.1016/0041-008x(75)90048-4. [PMID: 1129786]
  • A S WRIGHT, R S CROWNE, D E HATHWAY. THE FATE OF 2,4,6-TRI-(3',5'-DI-TERT.-BUTYL-4'-HYDROXYBENZYL)MESITYLENE (IONOX 330) IN THE DOG AND RAT. The Biochemical journal. 1965 Apr; 95(?):98-103. doi: 10.1042/bj0950098. [PMID: 14333573]