Tris(2-butoxyethyl) phosphate (BioDeep_00000001522)

 

Secondary id: BioDeep_00001873645

human metabolite blood metabolite Industrial Pollutants Volatile Flavor Compounds


代谢物信息卡片


Phosphoric acid, tris(2-butoxyethyl) ester

化学式: C18H39O7P (398.24332740000006)
中文名称: 磷酸三(2-正丁氧乙基)酯, 磷酸三(2-丁氧基乙基)酯
谱图信息: 最多检出来源 Homo sapiens(blood) 44.37%

分子结构信息

SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChI: InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10134; ORIGINAL_PRECURSOR_SCAN_NO 10129
CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10034; ORIGINAL_PRECURSOR_SCAN_NO 10029
CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10135; ORIGINAL_PRECURSOR_SCAN_NO 10134
CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10156; ORIGINAL_PRECURSOR_SCAN_NO 10155
CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10080; ORIGINAL_PRECURSOR_SCAN_NO 10079
CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10078; ORIGINAL_PRECURSOR_SCAN_NO 10077
CONFIDENCE standard compound; INTERNAL_ID 2467
CONFIDENCE standard compound; INTERNAL_ID 8244
CONFIDENCE standard compound; INTERNAL_ID 8806

同义名列表

16 个代谢物同义名

Phosphoric acid, tris(2-butoxyethyl) ester; Phosphoric acid, tri-(2-butoxyethyl) ester; Phosphate, tris(2-butoxyethyl) ester; Phosphate, tri-(2-butoxyethyl) ester; Tris(2-butoxyethyl) phosphoric acid; Tri(2-butoxyethyl) phosphoric acid; Tris(butoxyethyl)phosphoric acid; Tris(2-butoxyethyl) phosphate; Tri(2-butoxyethyl) phosphate; Tri(butoxyethyl) phosphate; Tris(butoxyethyl)phosphate; Tri(butoxyethyl)phosphate; Tributoxyethyl phosphate; TBEP; TBOEP; Tris(butoxyethyl)phosphate



数据库引用编号

26 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。



文献列表

  • Zhengliang Hao, Zhijie Zhang, Dezhao Lu, Bin Ding, Lin Shu, Quan Zhang, Cui Wang. Organophosphorus Flame Retardants Impair Intracellular Lipid Metabolic Function in Human Hepatocellular Cells. Chemical research in toxicology. 2019 06; 32(6):1250-1258. doi: 10.1021/acs.chemrestox.9b00058. [PMID: 30966736]
  • Xinyue Zeng, Hong Sun, Yangyang Huang, Jue Liu, Liqin Yu, Chunsheng Liu, Jianghua Wang. Effects of environmentally relevant concentrations of tris (2-butoxyethyl) phosphate on growth and transcription of genes involved in the GH/IGF and HPT axes in zebrafish (Danio rerio). Chemosphere. 2018 Dec; 212(?):376-384. doi: 10.1016/j.chemosphere.2018.08.102. [PMID: 30149310]
  • Boris V Krivoshiev, Gerrit T S Beemster, Katrien Sprangers, Bart Cuypers, Kris Laukens, Ronny Blust, Steven J Husson. Toxicogenomics of the flame retardant tris (2-butoxyethyl) phosphate in HepG2 cells using RNA-seq. Toxicology in vitro : an international journal published in association with BIBRA. 2018 Feb; 46(?):178-188. doi: 10.1016/j.tiv.2017.10.011. [PMID: 29024780]
  • Wolfgang Völkel, Veronika Fuchs, Mandy Wöckner, Hermann Fromme. Toxicokinetic of tris(2-butoxyethyl) phosphate (TBOEP) in humans following single oral administration. Archives of toxicology. 2018 Feb; 92(2):651-660. doi: 10.1007/s00204-017-2078-7. [PMID: 28956089]
  • Qinglong Xu, Ding Wu, Yao Dang, Liqin Yu, Chunsheng Liu, Jianghua Wang. Reproduction impairment and endocrine disruption in adult zebrafish (Danio rerio) after waterborne exposure to TBOEP. Aquatic toxicology (Amsterdam, Netherlands). 2017 Jan; 182(?):163-171. doi: 10.1016/j.aquatox.2016.11.019. [PMID: 27912163]
  • Augustine Arukwe, Camilla Catarci Carteny, Monika Möder, Alberto Bonini, Morten Andre Maubach, Trine Eggen. Differential modulation of neuro- and interrenal steroidogenesis of juvenile salmon by the organophosphates - tris(2-butoxyethyl)- and tris(2-cloroethyl) phosphate. Environmental research. 2016 07; 148(?):63-71. doi: 10.1016/j.envres.2016.03.020. [PMID: 27019041]
  • Bareum Kwon, Hyejin Shin, Hyo-Bang Moon, Kyunghee Ji, Ki-Tae Kim. Effects of tris(2-butoxyethyl) phosphate exposure on endocrine systems and reproduction of zebrafish (Danio rerio). Environmental pollution (Barking, Essex : 1987). 2016 Jul; 214(?):568-574. doi: 10.1016/j.envpol.2016.04.049. [PMID: 27131816]
  • Hiroyuki Kojima, Shinji Takeuchi, Nele Van den Eede, Adrian Covaci. Effects of primary metabolites of organophosphate flame retardants on transcriptional activity via human nuclear receptors. Toxicology letters. 2016 Mar; 245(?):31-9. doi: 10.1016/j.toxlet.2016.01.004. [PMID: 26778350]
  • Augustine Arukwe, Camilla Catarci Carteny, Trine Eggen. Lipid peroxidation and oxidative stress responses in juvenile salmon exposed to waterborne levels of the organophosphate compounds tris(2-butoxyethyl)- and tris(2-chloroethyl) phosphates. Journal of toxicology and environmental health. Part A. 2016; 79(13-15):515-25. doi: 10.1080/15287394.2016.1171978. [PMID: 27484134]
  • Lucio G Costa, Claudia Pellacani, Khoi Dao, Terrance J Kavanagh, Pamela J Roque. The brominated flame retardant BDE-47 causes oxidative stress and apoptotic cell death in vitro and in vivo in mice. Neurotoxicology. 2015 May; 48(?):68-76. doi: 10.1016/j.neuro.2015.03.008. [PMID: 25797475]
  • Nele Van den Eede, Claudio Erratico, Vassiliki Exarchou, Walid Maho, Hugo Neels, Adrian Covaci. In vitro biotransformation of tris(2-butoxyethyl) phosphate (TBOEP) in human liver and serum. Toxicology and applied pharmacology. 2015 Apr; 284(2):246-53. doi: 10.1016/j.taap.2015.01.021. [PMID: 25681655]
  • Xiangying Zeng, Zhiyang Liu, Lixiong He, Shuxia Cao, Han Song, Zhiqiang Yu, Guoying Sheng, Jiamo Fu. The occurrence and removal of organophosphate ester flame retardants/plasticizers in a municipal wastewater treatment plant in the Pearl River Delta, China. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering. 2015; 50(12):1291-7. doi: 10.1080/10934529.2015.1055158. [PMID: 26301856]
  • Caroline Egloff, Doug Crump, Emily Porter, Kim L Williams, Robert J Letcher, Lewis T Gauthier, Sean W Kennedy. Tris(2-butoxyethyl)phosphate and triethyl phosphate alter embryonic development, hepatic mRNA expression, thyroid hormone levels, and circulating bile acid concentrations in chicken embryos. Toxicology and applied pharmacology. 2014 Sep; 279(3):303-310. doi: 10.1016/j.taap.2014.06.024. [PMID: 24998971]
  • Zhihua Han, Qiangwei Wang, Jie Fu, Hongshan Chen, Ye Zhao, Bingsheng Zhou, Zhiyuan Gong, Si Wei, Jun Li, Hongling Liu, Xiaowei Zhang, Chunsheng Liu, Hongxia Yu. Multiple bio-analytical methods to reveal possible molecular mechanisms of developmental toxicity in zebrafish embryos/larvae exposed to tris(2-butoxyethyl) phosphate. Aquatic toxicology (Amsterdam, Netherlands). 2014 May; 150(?):175-81. doi: 10.1016/j.aquatox.2014.03.013. [PMID: 24685621]
  • Xiaoshan Liu, Kyunghee Ji, Kyungho Choi. Endocrine disruption potentials of organophosphate flame retardants and related mechanisms in H295R and MVLN cell lines and in zebrafish. Aquatic toxicology (Amsterdam, Netherlands). 2012 Jun; 114-115(?):173-81. doi: 10.1016/j.aquatox.2012.02.019. [PMID: 22446829]
  • P J Phillips, A T Chalmers, J L Gray, D W Kolpin, W T Foreman, G R Wall. Combined sewer overflows: an environmental source of hormones and wastewater micropollutants. Environmental science & technology. 2012 May; 46(10):5336-43. doi: 10.1021/es3001294. [PMID: 22540536]
  • Jenny Ellis, Monika Shah, Kevin M Kubachka, Joseph A Caruso. Determination of organophosphorus fire retardants and plasticizers in wastewater samples using MAE-SPME with GC-ICPMS and GC-TOFMS detection. Journal of environmental monitoring : JEM. 2007 Dec; 9(12):1329-36. doi: 10.1039/b710667j. [PMID: 18049771]
  • J A Andresen, A Grundmann, K Bester. Organophosphorus flame retardants and plasticisers in surface waters. The Science of the total environment. 2004 Oct; 332(1-3):155-66. doi: 10.1016/j.scitotenv.2004.04.021. [PMID: 15336899]
  • E Fries, W Puttmann. Occurrence of organophosphate esters in surface water and ground water in Germany. Journal of environmental monitoring : JEM. 2001 Dec; 3(6):621-6. doi: 10.1039/b105072a. [PMID: 11785636]
  • M Saitoh, T Umemura, Y Kawasaki, J Momma, Y Matsushima, M Matsumoto, N Eshita, K Isama, M Kaniwa, M Tsuda. [Subchronic toxicity study of tributoxyethyl phosphate in Wistar rats]. Eisei Shikenjo hokoku. Bulletin of National Institute of Hygienic Sciences. 1994; ?(112):27-39. doi: . [PMID: 8854900]
  • N Sugihara, K Furuno, N Kita, T Murakami, N Yata. Increase in the plasma protein binding of weakly basic drugs in carbon tetrachloride-intoxicated rats. Chemical & pharmaceutical bulletin. 1991 Oct; 39(10):2671-3. doi: 10.1248/cpb.39.2671. [PMID: 1806288]
  • C D Carrington, D M Lapadula, M Othman, C Farr, R S Nair, F Johannsen, M B Abou-Donia. Assessment of the delayed neurotoxicity of tributyl phosphate, tributoxyethyl phosphate, and dibutylphenyl phosphate. Toxicology and industrial health. 1990 May; 6(3-4):415-23. doi: 10.1177/074823379000600305. [PMID: 2237927]
  • F M Belpaire, A De Rick, F De Smet, A Bourda, M T Rosseel, M G Bogaert. Influence of lidocaine on plasma protein binding and pharmacokinetics of verapamil in dogs. Progress in clinical and biological research. 1989; 300(?):437-40. doi: NULL. [PMID: 2780641]
  • I H Benedek, R A Blouin, P J McNamara. Altered drug-serum protein binding in the genetically obese Zucker rat. Journal of pharmaceutical sciences. 1985 Aug; 74(8):837-40. doi: 10.1002/jps.2600740807. [PMID: 4032266]
  • G D Anderson, A T Elvin, D Lalka. Estimation of tris(2-butoxyethyl) phosphate in biological fluids: novel intersubject variability in recovery from human serum. Journal of pharmaceutical sciences. 1984 Dec; 73(12):1791-3. doi: 10.1002/jps.2600731233. [PMID: 6527258]
  • J E Devine. Drug-protein binding interferences caused by the plasticizer TBEP. Clinical biochemistry. 1984 Dec; 17(6):345-7. doi: 10.1016/s0009-9120(84)90686-6. [PMID: 6518648]
  • F M Belpaire, R A Braeckman, M G Bogaert. Binding of oxprenolol and propranolol to serum, albumin and alpha 1-acid glycoprotein in man and other species. Biochemical pharmacology. 1984 Jul; 33(13):2065-9. doi: 10.1016/0006-2952(84)90575-6. [PMID: 6743355]
  • V P Shah, G Knapp, J P Skelly, B E Cabana. Interference in plasma level measurements of certain drugs due to a plasticizer in Vacutainers. Journal of pharmaceutical sciences. 1982 Oct; 71(10):II. doi: NULL. [PMID: 7143202]
  • E Pike, B Skuterud, P Kierulf, D Fremstad, S M Abdel Sayed, P K Lunde. Binding and displacement of basic, acidic and neutral drugs in normal and orosomucoid-deficient plasma. Clinical pharmacokinetics. 1981 Sep; 6(5):367-74. doi: 10.2165/00003088-198106050-00003. [PMID: 7333058]