Methyl-tert-butyl ether (BioDeep_00000008614)
Secondary id: BioDeep_00001871697
human metabolite blood metabolite Industrial Pollutants BioNovoGene_Lab2019
代谢物信息卡片
Methyl 1,1-dimethylethyl ether
化学式: C5H12O (88.0888)
中文名称: 甲基叔丁基醚
谱图信息:
最多检出来源 Homo sapiens(blood) 54.42%
分子结构信息
SMILES: CC(C)(C)OC
InChI: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
描述信息
Methyl-tert-butyl ether, also known as tert-butyl methyl ether, methyl t-butyl ether or MTBE, is classified as a member of the dialkyl ethers. Dialkyl ethers are organic compounds containing the dialkyl ether functional group, with the formula ROR, where R and R are alkyl groups. Methyl-tert-butyl ether is considered to be soluble (in water) and basic. It is used as a gasoline additive. Exposure may occur by breathing air contaminated with auto exhaust or gasoline fumes while refueling autos. Respiratory irritation, dizziness, and disorientation have been reported by some motorists and occupationally exposed workers. Acute (short-term) exposure of humans to methyl tert-butyl ether also has occurred during its use as a medical treatment to dissolve cholesterol gallstones. Chronic (long-term) inhalation exposure to methyl-tert-butyl ether has resulted in central nervous system (CNS) effects, respiratory irritation, liver and kidney effects, and decreased body weight gain in animals. United States Environmental Protection Agency has not classified methyl-tert-butyl ether with respect to potential carcinogenicity. (ChemoSummarizer)
D004785 - Environmental Pollutants > D000393 - Air Pollutants
D009676 - Noxae > D002273 - Carcinogens
同义名列表
13 个代谢物同义名
Methyl 1,1-dimethylethyl ether; Methyl tertiary-butyl ether; 2-Methoxy-2-methylpropane; 2-Methyl-2-methoxypropane; Methyl tert-butyl ether; Methyl-tert-butyl ether; tert-Butyl methyl ether; Methyl t-butyl ether; t-Butyl methyl ether; Tert-C4H9OCH3; MTBE; Methyl tert-butyl ether; Methyl tert-butyl ether
数据库引用编号
14 个数据库交叉引用编号
- ChEBI: CHEBI:27642
- KEGG: C11344
- PubChem: 15413
- HMDB: HMDB0061749
- Metlin: METLIN69006
- ChEMBL: CHEMBL1452799
- Wikipedia: MTBE
- CAS: 1219795-06-8
- CAS: 1634-04-4
- PMhub: MS000022248
- PubChem: 13519
- NIKKAJI: J27.142J
- BioNovoGene_Lab2019: BioNovoGene_Lab2019-827
- KNApSAcK: 27642
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
1 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(1)
- methyl tert-butyl ether degradation:
H+ + NADH + O2 + methyl tert-butyl ether ⟶ tert-butoxymethanol + H2O + NAD+
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。
文献列表
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Marine environmental research.
2023 Jul; 190(?):106087. doi:
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Talanta.
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Ecotoxicology and environmental safety.
2023 Apr; 255(?):114763. doi:
10.1016/j.ecoenv.2023.114763. [PMID: 37032576] - James S Bus, B Bhaskar Gollapudi, Gordon C Hard. Methyl-tert-butyl ether (MTBE): integration of rat and mouse carcinogenicity data with mode of action and human and rodent bioassay dosimetry and toxicokinetics indicates MTBE is not a plausible human carcinogen.
Journal of toxicology and environmental health. Part B, Critical reviews.
2022 05; 25(4):135-161. doi:
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Ecotoxicology and environmental safety.
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10.4155/bio.12.120. [PMID: 22793027] - Giuseppe De Palma, Diana Poli, Paola Manini, Roberta Andreoli, Paola Mozzoni, Pietro Apostoli, Antonio Mutti. Biomarkers of exposure to aromatic hydrocarbons and methyl tert-butyl ether in petrol station workers.
Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals.
2012 Jun; 17(4):343-51. doi:
10.3109/1354750x.2012.672459. [PMID: 22458326] - Jessica Grace Van Der Gugten, Joshua Dubland, Hua-Fen Liu, Alex Wang, Christine Joseph, Daniel T Holmes. Determination of serum aldosterone by liquid chromatography and tandem mass spectrometry: a liquid-liquid extraction method for the ABSCIEX API-5000 mass spectrometry system.
Journal of clinical pathology.
2012 May; 65(5):457-62. doi:
10.1136/jclinpath-2011-200564. [PMID: 22412047] - Mi-Sun Kim, Yoo-Sin Park, Shin-Hee Kim, Sang-Yeon Kim, Min-Ho Lee, Youn-Hee Kim, Do-Wan Kim, Seok-Chul Yang, Ju-Seop Kang. Quantification of nimesulide in human plasma by high-performance liquid chromatography with ultraviolet detector (HPLC-UV): application to pharmacokinetic studies in 28 healthy Korean subjects.
Journal of chromatographic science.
2012 May; 50(5):396-400. doi:
10.1093/chromsci/bms014. [PMID: 22451531] - Weimin Sun, Xiaoxu Sun, Alison M Cupples. Anaerobic methyl tert-butyl ether-degrading microorganisms identified in wastewater treatment plant samples by stable isotope probing.
Applied and environmental microbiology.
2012 Apr; 78(8):2973-80. doi:
10.1128/aem.07253-11. [PMID: 22327600] - Zhenzhen Liu, Bo Zhang, Zhihong Liu, Song Li, Guofei Li, Lulu Geng, Xu Zhao, Kaishun Bi, Xing Tang, Xiaohui Chen. Development of a UPLC-ESI-MS/MS method for the determination of larotaxel in beagle dog plasma: application to the pharmacokinetic study.
Analytical and bioanalytical chemistry.
2012 Apr; 403(1):323-30. doi:
10.1007/s00216-012-5763-7. [PMID: 22302171] - Zhigang Liu, Minyan Jiang, Xiumei Lu, Feng Qin, Yang Song, Jing Wen, Famei Li. Simultaneous determination of pimpinellin, isopimpinellin and phellopterin in rat plasma by a validated UPLC-MS/MS and its application to a pharmacokinetic study after administration of Toddalia asiatica extract.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2012 Apr; 891-892(?):102-8. doi:
10.1016/j.jchromb.2012.02.022. [PMID: 22418072] - Zhongbing Chen, Peter Kuschk, Nils Reiche, Helko Borsdorf, Matthias Kästner, Heinz Köser. Comparative evaluation of pilot scale horizontal subsurface-flow constructed wetlands and plant root mats for treating groundwater contaminated with benzene and MTBE.
Journal of hazardous materials.
2012 Mar; 209-210(?):510-5. doi:
10.1016/j.jhazmat.2012.01.067. [PMID: 22326241] - Emilia Marchei, Esther Papaseit, Oscar Q Garcia-Algar, Magi Farrè, Roberta Pacifici, Simona Pichini. Determination of atomoxetine and its metabolites in conventional and non-conventional biological matrices by liquid chromatography-tandem mass spectrometry.
Journal of pharmaceutical and biomedical analysis.
2012 Feb; 60(?):26-31. doi:
10.1016/j.jpba.2011.11.009. [PMID: 22142618] - Chang-Ik Choi, Jung-Woo Bae, Hye-In Lee, Choon-Gon Jang, Uy Dong Sohn, Seok-Yong Lee. Determination of atomoxetine metabolites in human plasma by liquid chromatography/tandem mass spectrometry and its application to a pharmacokinetic study.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2012 Feb; 885-886(?):103-8. doi:
10.1016/j.jchromb.2011.12.023. [PMID: 22237133] - Libo Zhao, Baoying Zhu, Xin Chen, Genghui Chen, Haibo Chen, Yuzhen Li, Shan Jing, Yi Fang. Development and validation of a rapid and sensitive liquid chromatography-tandem mass spectrometry method for benvitimod quantification in human plasma.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2012 Feb; 885-886(?):160-5. doi:
10.1016/j.jchromb.2011.12.026. [PMID: 22281235] - Li Sun, Sabrina Forni, Michael S Schwartz, Sheila Breidinger, Eric J Woolf. Quantitative determination of odanacatib in human plasma using liquid-liquid extraction followed by liquid chromatography-tandem mass spectrometry analysis.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2012 Feb; 885-886(?):15-23. doi:
10.1016/j.jchromb.2011.12.004. [PMID: 22230741] - Hye Young Ji, Ji-Hong Sohn, Hye Suk Lee. Hydrophilic interaction chromatography-electrospray ionization tandem mass spectrometric analysis of anastrozole in human plasma and its application to a pharmacokinetic study.
Biomedical chromatography : BMC.
2012 Feb; 26(2):261-6. doi:
10.1002/bmc.1658. [PMID: 21656533] - Taigang Liang, Wenyan Yue, Xue Du, Luhui Ren, Qingshan Li. Pharmacokinetics and tissue distribution study of Praeruptorin D from Radix peucedani in rats by high-performance liquid chromatography (HPLC).
International journal of molecular sciences.
2012; 13(7):9129-9141. doi:
10.3390/ijms13079129. [PMID: 22942756] - M E M Dolman, Stefan Harmsen, Ebel H E Pieters, Rolf W Sparidans, Marie Lacombe, Bálint Szokol, László Orfi, György Kéri, Gert Storm, Wim E Hennink, Robbert J Kok. Targeting of a platinum-bound sunitinib analog to renal proximal tubular cells.
International journal of nanomedicine.
2012; 7(?):417-33. doi:
10.2147/ijn.s26485. [PMID: 22334775] - É V Trifonova, R G Saĭfutdinov. [Factors affecting contractile function of the gall blader in patients with cholelithiasis].
Eksperimental'naia i klinicheskaia gastroenterologiia = Experimental & clinical gastroenterology.
2012; ?(4):16-20. doi:
. [PMID: 23402147] - Mario Lorenz, Mandy Fechner, Janine Kalkowski, Kati Fröhlich, Anne Trautmann, Volker Böhm, Gerhard Liebisch, Stefan Lehneis, Gerd Schmitz, Antje Ludwig, Gert Baumann, Karl Stangl, Verena Stangl. Effects of lycopene on the initial state of atherosclerosis in New Zealand White (NZW) rabbits.
PloS one.
2012; 7(1):e30808. doi:
10.1371/journal.pone.0030808. [PMID: 22295112] - Natália Valadares de Moraes, Gabriela Rocha Lauretti, Marcio Nogueira Napolitano, Naiane Ribeiro Santos, Ana Leonor Pardo Campos Godoy, Vera Lucia Lanchote. Enantioselective analysis of unbound tramadol, O-desmethyltramadol and N-desmethyltramadol in plasma by ultrafiltration and LC-MS/MS: application to clinical pharmacokinetics.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2012 Jan; 880(1):140-7. doi:
10.1016/j.jchromb.2011.11.033. [PMID: 22173007] - Fan Lin, David Sherris, Jos H Beijnen, Olaf Van Tellingen. High-performance liquid chromatography analysis of a novel small-molecule, anti-cancer drug, Palomid 529, in human and mouse plasma and in mouse tissue homogenates.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2011 Dec; 879(32):3823-31. doi:
10.1016/j.jchromb.2011.10.028. [PMID: 22100549] - Sara L Buckner, M Mansour Ceesay, Antonio Pagliuca, Phillip E Morgan, Robert J Flanagan. Measurement of posaconazole, itraconazole, and hydroxyitraconazole in plasma/serum by high-performance liquid chromatography with fluorescence detection.
Therapeutic drug monitoring.
2011 Dec; 33(6):735-41. doi:
10.1097/ftd.0b013e3182381bb1. [PMID: 22105591] - Eva M Seeger, Peter Kuschk, Helga Fazekas, Peter Grathwohl, Matthias Kaestner. Bioremediation of benzene-, MTBE- and ammonia-contaminated groundwater with pilot-scale constructed wetlands.
Environmental pollution (Barking, Essex : 1987).
2011 Dec; 159(12):3769-76. doi:
10.1016/j.envpol.2011.07.019. [PMID: 21840095] - Zhongxin Xiao, Jinfang Feng, Zhixiong Shi, Jingguang Li, Yunfeng Zhao, Yongning Wu. [Determination of three brominated flame retardants in human serum using solid-phase extraction coupled with ultra-performance liquid chromatography-tandem mass spectrometry and gas chromatography-mass spectrometry].
Se pu = Chinese journal of chromatography.
2011 Dec; 29(12):1165-72. doi:
NULL. [PMID: 22500441] - Zdenka Bartošová, David Jirovský, Aleš Horna. High-performance liquid chromatographic method with amperometric detection employing boron-doped diamond electrode for the determination of sildenafil, vardenafil and their main metabolites in plasma.
Journal of chromatography. A.
2011 Nov; 1218(44):7996-8001. doi:
10.1016/j.chroma.2011.09.001. [PMID: 21943935] - Yuanyuan Li, Jack Henion, Richard Abbott, Phillip Wang. Dried blood spots as a sampling technique for the quantitative determination of guanfacine in clinical studies.
Bioanalysis.
2011 Nov; 3(22):2501-14. doi:
10.4155/bio.11.262. [PMID: 22122599] - Kari Savolainen, Raisa Kiimamaa, Toivo Halonen. High-throughput analysis of testosterone in serum samples by on-line solid phase extraction liquid chromatography-tandem mass spectrometry.
Clinical chemistry and laboratory medicine.
2011 Nov; 49(11):1845-8. doi:
10.1515/cclm.2011.663. [PMID: 21756165] - Ariane Wohlfarth, Hellmut Mahler, Volker Auwärter. Rapid isolation procedure for Δ9-tetrahydrocannabinolic acid A (THCA) from Cannabis sativa using two flash chromatography systems.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2011 Oct; 879(28):3059-64. doi:
10.1016/j.jchromb.2011.09.012. [PMID: 21944900] - Frans J Jongeneelen, Wil F Ten Berge. A generic, cross-chemical predictive PBTK model with multiple entry routes running as application in MS Excel; design of the model and comparison of predictions with experimental results.
The Annals of occupational hygiene.
2011 Oct; 55(8):841-64. doi:
10.1093/annhyg/mer075. [PMID: 21998005] - Berit Packert Jensen, Paul Ken Leong Chin, Evan James Begg. Quantification of total and free concentrations of R- and S-warfarin in human plasma by ultrafiltration and LC-MS/MS.
Analytical and bioanalytical chemistry.
2011 Oct; 401(7):2187-93. doi:
10.1007/s00216-011-5303-x. [PMID: 21830136] - Ahmed A Almousa, Rie Ikeda, Mitsuhiro Wada, Naotoka Kuroda, Ruri-Kikura Hanajiri, Kenichiro Nakashima. HPLC-UV method development for fentanyl determination in rat plasma and its application to elucidate pharmacokinetic behavior after i.p. administration to rats.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2011 Oct; 879(27):2941-4. doi:
10.1016/j.jchromb.2011.08.029. [PMID: 21917532] - Ruilin Hu, Xiaojing Dai, Xia Xu, Cuirong Sun, Yuanjiang Pan. Two-dimensional counter-current chromatography: 1st traditional counter-current chromatography, 2nd acid-base elution counter-current chromatography.
Journal of chromatography. A.
2011 Sep; 1218(36):6085-91. doi:
10.1016/j.chroma.2010.12.084. [PMID: 21269628] - Henrik Nordberg, Gunilla Jerndal, Richard A Thompson. Direct injection of lipophilic compounds in the organic phase from liquid-liquid extracted plasma samples onto a reversed-phase column.
Bioanalysis.
2011 Sep; 3(17):1963-73. doi:
10.4155/bio.11.177. [PMID: 21899505] - Feng Bai, Jennifer Johnson, Fan Wang, Lei Yang, Alberto Broniscer, Clinton F Stewart. Determination of vandetanib in human plasma and cerebrospinal fluid by liquid chromatography electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS).
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2011 Sep; 879(25):2561-6. doi:
10.1016/j.jchromb.2011.07.012. [PMID: 21803003] - Y Geng, M Zhang, W Yuan, B Xiang. Modified dispersive liquid-liquid microextraction followed by high-performance liquid chromatography for the determination of clenbuterol in swine urine.
Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment.
2011 Aug; 28(8):1006-12. doi:
10.1080/19440049.2011.576444. [PMID: 21644118] - Ji Hyun Jeong, Dong Kyun Kim, Hye Young Ji, Sei Ryang Oh, Hyung-Kyu Lee, Hye Suk Lee. Liquid chromatography-atmospheric pressure chemical ionization tandem mass spectrometry for the simultaneous determination of dimethoxyaschantin, dimethylliroresinol, dimethylpinoresinol, epimagnolin A, fargesin and magnolin in rat plasma.
Biomedical chromatography : BMC.
2011 Aug; 25(8):879-89. doi:
10.1002/bmc.1538. [PMID: 21058411] - Anurak Cheomung, Kesara Na-Bangchang. HPLC with ultraviolet detection for the determination of chloroquine and desethylchloroquine in whole blood and finger-prick capillary blood dried on filter paper.
Journal of pharmaceutical and biomedical analysis.
2011 Jul; 55(5):1031-40. doi:
10.1016/j.jpba.2011.03.001. [PMID: 21466937] - Youwen You, Cornelius E Uboh, Lawrence R Soma, Fuyu Guan, Xiaoqing Li, Ying Liu, Jeffrey A Rudy, Jinwen Chen, Deborah Tsang. Simultaneous separation and determination of 16 testosterone and nandrolone esters in equine plasma using ultra high performance liquid chromatography-tandem mass spectrometry for doping control.
Journal of chromatography. A.
2011 Jul; 1218(26):3982-93. doi:
10.1016/j.chroma.2011.04.087. [PMID: 21601862] - Xin Xiong, Suodi Zhai. High-performance liquid chromatography/tandem mass spectrometry method for the determination of arbidol in human plasma.
Journal of AOAC International.
2011 Jul; 94(4):1100-5. doi:
10.1093/jaoac/94.4.1100. [PMID: 21919344] - Hanna Ksycińska, Katarzyna Buś-Kwaśnik, Anna Szlagowska, Piotr J Rudzki. Development and validation of a sensitive liquid chromatography/tandem mass spectrometry method for the determination of exemestane in human plasma.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2011 Jul; 879(21):1905-10. doi:
10.1016/j.jchromb.2011.05.015. [PMID: 21641878]
