Tris(2-butoxyethyl) phosphate (BioDeep_00000001522)

 

Secondary id: BioDeep_00001873645

human metabolite blood metabolite Industrial Pollutants


代谢物信息卡片


Phosphoric acid, tris(2-butoxyethyl) ester

化学式: C18H39O7P (398.2433)
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) 19.08%

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。

亚细胞结构定位 关联基因列表
Cytoplasm 13 ALB, AR, AXIN2, CASP3, CASP9, CAT, ESR1, GPX1, HPGDS, NR3C1, NR3C2, PTPN4, TBP
Peripheral membrane protein 4 ACHE, CYP1B1, ESR1, PTPN4
Endoplasmic reticulum membrane 2 CYP1B1, NR3C2
Nucleus 12 ACHE, ALB, AR, AXIN2, CASP3, CASP9, ESR1, NR3C1, NR3C2, PPARA, TBP, THRA
cytosol 14 ALB, AR, AXIN2, CASP3, CASP9, CAT, ESR1, GPX1, HBB, HPGDS, NR3C1, NR3C2, PTPN4, THRA
centrosome 3 ALB, AXIN2, NR3C1
nucleoplasm 10 AR, CASP3, ESR1, HPGDS, NR3C1, NR3C2, PPARA, PTPN4, TBP, THRA
RNA polymerase II transcription regulator complex 1 THRA
Cell membrane 3 ACHE, ESR1, PTPN4
Cytoplasmic side 2 ESR1, PTPN4
Synapse 2 ACHE, NR3C1
cell surface 1 ACHE
glutamatergic synapse 1 CASP3
Golgi apparatus 3 ACHE, ALB, ESR1
neuromuscular junction 1 ACHE
neuronal cell body 1 CASP3
plasma membrane 5 ACHE, AR, AXIN2, BCHE, ESR1
Membrane 7 ACHE, AR, CAT, CYP1B1, ESR1, HBB, NR3C1
extracellular exosome 4 ALB, CAT, HBB, TTR
endoplasmic reticulum 1 ALB
extracellular space 5 ACHE, ALB, BCHE, HBB, TTR
perinuclear region of cytoplasm 1 ACHE
mitochondrion 5 CASP9, CAT, CYP1B1, GPX1, NR3C1
protein-containing complex 7 ALB, AR, CASP9, CAT, ESR1, NR3C1, TBP
intracellular membrane-bounded organelle 3 CAT, CYP1B1, HPGDS
Microsome membrane 1 CYP1B1
postsynaptic density 1 CASP3
Secreted 4 ACHE, ALB, BCHE, TTR
extracellular region 6 ACHE, ALB, BCHE, CAT, HBB, TTR
cytoplasmic side of plasma membrane 1 PTPN4
mitochondrial matrix 3 CAT, GPX1, NR3C1
Extracellular side 1 ACHE
anchoring junction 1 ALB
transcription regulator complex 1 ESR1
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome 1 NR3C1
beta-catenin destruction complex 1 AXIN2
Cytoplasm, cytoskeleton 1 PTPN4
Cytoplasm, cytoskeleton, spindle 1 NR3C1
focal adhesion 1 CAT
spindle 1 NR3C1
Peroxisome 1 CAT
basement membrane 1 ACHE
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
nuclear speck 2 AR, NR3C1
receptor complex 1 NR3C2
ciliary basal body 1 ALB
chromatin 7 AR, ESR1, NR3C1, NR3C2, PPARA, TBP, THRA
Chromosome 1 NR3C1
cytoskeleton 1 PTPN4
centriole 1 ALB
spindle pole 1 ALB
blood microparticle 3 ALB, BCHE, HBB
Lipid-anchor, GPI-anchor 1 ACHE
female germ cell nucleus 1 TBP
Nucleus, nucleoplasm 1 NR3C1
euchromatin 2 ESR1, TBP
side of membrane 1 ACHE
ficolin-1-rich granule lumen 2 CAT, HBB
secretory granule lumen 1 CAT
endoplasmic reticulum lumen 2 ALB, BCHE
male germ cell nucleus 1 TBP
transcription factor TFIID complex 1 TBP
platelet alpha granule lumen 1 ALB
tertiary granule lumen 1 HBB
azurophil granule lumen 1 TTR
nuclear envelope lumen 1 BCHE
apoptosome 1 CASP9
[Isoform 1]: Nucleus 1 ESR1
synaptic cleft 1 ACHE
death-inducing signaling complex 1 CASP3
female pronucleus 1 TBP
male pronucleus 1 TBP
[Isoform Alpha]: Cytoplasm 1 NR3C1
hemoglobin complex 1 HBB
endocytic vesicle lumen 1 HBB
haptoglobin-hemoglobin complex 1 HBB
catalase complex 1 CAT
[Isoform Beta]: Nucleus 1 NR3C1
[Isoform Alpha-B]: Nucleus 1 NR3C1
[Isoform Alpha-2]: Cytoplasm 1 THRA
RNA polymerase transcription factor SL1 complex 1 TBP
transcription factor TFIIA complex 1 TBP
[Isoform H]: Cell membrane 1 ACHE
ciliary transition fiber 1 ALB
caspase complex 1 CASP9


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]
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