1,3,5-Trimethylbenzene (BioDeep_00001871707)

Main id: BioDeep_00000009943

natural product Volatile Flavor Compounds

代谢物信息卡片

1,3,5-Trimethylbenzene

化学式: C9H12 (120.09389519999999)
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

4 个代谢物同义名

1,3,5-Trimethylbenzene; MESITYLENE; Mesitylene; Mesitylene

数据库引用编号

10 个数据库交叉引用编号

ChEBI: CHEBI:34833
KEGG: C14508
PubChem: 7947
ChEMBL: CHEMBL1797281
CAS: 108-67-8
PubChem: 17395508
PDB-CCD: SEZ
NIKKAJI: J2.424D
LOTUS: LTS0113640
KNApSAcK: 34833

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)

13 个相关的物种来源信息

4037 - Apiaceae: LTS0113640
3700 - Brassicaceae: LTS0113640
2759 - Eukaryota: LTS0113640
49865 - Ferulago: LTS0113640
1881613 - Ferulago nodosa: 10.1002/(SICI)1099-1565(199909/10)10:5<241::AID-PCA460>3.0.CO;2-5
1881613 - Ferulago nodosa: LTS0113640
19205 - Lepidium: LTS0113640
153348 - Lepidium meyenii: 10.1016/S0031-9422(02)00208-X
153348 - Lepidium meyenii: LTS0113640
3398 - Magnoliopsida: LTS0113640
35493 - Streptophyta: LTS0113640
58023 - Tracheophyta: LTS0113640
33090 - Viridiplantae: LTS0113640

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

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]