BIS(2-ETHYLHEXYL) ADIPATE (BioDeep_00001873584)

   

Industrial Pollutants


代谢物信息卡片


BIS(2-ETHYLHEXYL) ADIPATE

化学式: C22H42O4 (370.3083)
中文名称: 双(2-乙基己基)己二酸酯, 己二酸二(2-乙基己基)酯, 己二酸二(2-乙基己)酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
InChI: InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3

描述信息

同义名列表

5 个代谢物同义名

BIS(2-ETHYLHEXYL) ADIPATE; DEHA; DEHA; Di(2-ethylhexyl) adipate; Hexanedioic acid, bis(2-ethylhexyl) ester



数据库引用编号

8 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 8 BCL2, BDNF, CASP3, CAT, CYP2E1, GFAP, RAD51, VIM
Peripheral membrane protein 1 CYP2E1
Endoplasmic reticulum membrane 2 BCL2, CYP2E1
Nucleus 8 BCL2, CASP3, PBK, PCNA, RAD51, THRA, THRB, XRCC5
cytosol 9 BCL2, CASP3, CAT, GFAP, GPT, RAD51, THRA, VIM, XRCC5
dendrite 1 BDNF
nuclear body 2 PCNA, THRB
phagocytic vesicle 1 VIM
centrosome 2 PCNA, RAD51
nucleoplasm 6 CASP3, PCNA, RAD51, THRA, THRB, XRCC5
RNA polymerase II transcription regulator complex 2 THRA, THRB
Cell membrane 2 AGTR1, VIM
Multi-pass membrane protein 2 AGTR1, TM2D1
glutamatergic synapse 1 CASP3
mitochondrial inner membrane 1 CYP2E1
neuronal cell body 1 CASP3
synaptic vesicle 1 BDNF
plasma membrane 5 AGTR1, DIO2, TM2D1, VIM, XRCC5
Membrane 7 AGTR1, BCL2, BDNF, CAT, DIO2, TM2D1, XRCC5
axon 2 BDNF, VIM
extracellular exosome 5 CAT, GPT, PCNA, SHBG, VIM
endoplasmic reticulum 1 BCL2
extracellular space 2 AMH, BDNF
perinuclear region of cytoplasm 2 BDNF, RAD51
mitochondrion 3 BCL2, CAT, RAD51
protein-containing complex 4 BCL2, CAT, RAD51, XRCC5
intracellular membrane-bounded organelle 2 CAT, CYP2E1
Microsome membrane 1 CYP2E1
postsynaptic density 1 CASP3
Secreted 3 AMH, BDNF, SHBG
extracellular region 5 AMH, BDNF, CAT, SHBG, XRCC5
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 2 BCL2, DIO2
mitochondrial outer membrane 1 BCL2
astrocyte end-foot 1 GFAP
Mitochondrion matrix 1 RAD51
mitochondrial matrix 2 CAT, RAD51
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome 1 RAD51
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 1 BCL2
nucleolus 2 RAD51, XRCC5
Mitochondrion inner membrane 1 CYP2E1
pore complex 1 BCL2
Cytoplasm, cytoskeleton 1 VIM
focal adhesion 2 CAT, VIM
cis-Golgi network 1 GOLGA6A
Peroxisome 2 CAT, VIM
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
PML body 1 RAD51
intermediate filament 2 GFAP, VIM
neuron projection 1 VIM
chromatin 4 PCNA, RAD51, THRA, THRB
cell leading edge 1 VIM
cell projection 1 GFAP
Chromosome 2 RAD51, XRCC5
cytoskeleton 1 VIM
Nucleus, nucleolus 1 XRCC5
nuclear replication fork 1 PCNA
chromosome, telomeric region 3 PCNA, RAD51, XRCC5
nuclear chromosome 1 RAD51
site of double-strand break 1 RAD51
microtubule organizing center 1 VIM
lateral element 1 RAD51
Golgi cisterna membrane 1 GOLGA6A
cell body 1 GFAP
replication fork 1 PCNA
myelin sheath 1 BCL2
intermediate filament cytoskeleton 2 GFAP, VIM
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 2 CAT, XRCC5
endoplasmic reticulum lumen 1 BDNF
nuclear matrix 1 VIM
male germ cell nucleus 2 PCNA, RAD51
small-subunit processome 1 XRCC5
Nucleus matrix 1 VIM
nuclear telomere cap complex 1 XRCC5
condensed nuclear chromosome 1 RAD51
nuclear lamina 1 PCNA
ribonucleoprotein complex 1 XRCC5
protein-DNA complex 1 XRCC5
death-inducing signaling complex 1 CASP3
condensed chromosome 1 RAD51
site of DNA damage 1 XRCC5
cyclin-dependent protein kinase holoenzyme complex 1 PCNA
cytoplasmic side of lysosomal membrane 1 GFAP
DNA-dependent protein kinase complex 1 XRCC5
catalase complex 1 CAT
presynaptic intermediate filament cytoskeleton 1 RAD51
BAD-BCL-2 complex 1 BCL2
[Isoform Alpha-2]: Cytoplasm 1 THRA
PCNA complex 1 PCNA
PCNA-p21 complex 1 PCNA
replisome 1 PCNA
DNA-dependent protein kinase-DNA ligase 4 complex 1 XRCC5
Ku70:Ku80 complex 1 XRCC5
nonhomologous end joining complex 1 XRCC5
[Neurotrophic factor BDNF precursor form]: Secreted 1 BDNF
nuclear ubiquitin ligase complex 1 RAD51
Golgi cis cisterna 1 GOLGA6A


文献列表

  • Lucas Panneel, Paulien Cleys, Camille Breugelmans, Christina Christia, Govindan Malarvannan, Giulia Poma, Philippe G Jorens, Antonius Mulder, Adrian Covaci. Neonatal exposure to phthalate and alternative plasticizers via parenteral nutrition. International journal of pharmaceutics. 2023 Jan; 631(?):122472. doi: 10.1016/j.ijpharm.2022.122472. [PMID: 36526146]
  • Amany Behairy, Ghada I Abd El-Rahman, Sanaa S H Aly, Esraa M Fahmy, Yasmina M Abd-Elhakim. Di(2-ethylhexyl) adipate plasticizer triggers hepatic, brain, and cardiac injury in rats: Mitigating effect of Peganum harmala oil. Ecotoxicology and environmental safety. 2021 Jan; 208(?):111620. doi: 10.1016/j.ecoenv.2020.111620. [PMID: 33396140]
  • Lise Bernard, Mélanie Bailleau, Teuta Eljezi, Philip Chennell, Bertrand Souweine, Alexandre Lautrette, Valérie Sautou. How does continuous venovenous hemofiltration theoretically expose (ex-vivo models) inpatients to diethylhexyladipate, a plasticizer of PVC medical devices?. Chemosphere. 2020 Jul; 250(?):126241. doi: 10.1016/j.chemosphere.2020.126241. [PMID: 32105858]
  • Alexandra Nehring, Daniel Bury, Benedikt Ringbeck, Hans-Willi Kling, Rainer Otter, Tobias Weiss, Thomas Brüning, Holger M Koch. Metabolism and urinary excretion kinetics of di(2-ethylhexyl) adipate (DEHA) in four human volunteers after a single oral dose. Toxicology letters. 2020 Mar; 321(?):95-102. doi: 10.1016/j.toxlet.2019.12.006. [PMID: 31816331]
  • Alexandra Nehring, Daniel Bury, Hans-Willi Kling, Tobias Weiss, Thomas Brüning, Holger M Koch. Determination of human urinary metabolites of the plasticizer di(2-ethylhexyl) adipate (DEHA) by online-SPE-HPLC-MS/MS. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2019 Aug; 1124(?):239-246. doi: 10.1016/j.jchromb.2019.06.019. [PMID: 31233945]
  • Haiyan Xu, Barbara Musi, Zhimei Wang, Tiansheng Zhou, Qihong Huang, Juanhua Liu, Tiantian Li, Zhen Jiang, Songping Liao, Glosson Jill, Edward Koo. Systemic toxicity of di (2-ethylhexyl) adipate (DEHA) in rats following 28-day intravenous exposure. Regulatory toxicology and pharmacology : RTP. 2019 Jun; 104(?):50-55. doi: 10.1016/j.yrtph.2019.02.016. [PMID: 30826316]
  • Frederic Been, Govindan Malarvannan, Michiel Bastiaensen, Shanshan Yin, Alexander L N van Nuijs, Adrian Covaci. Development and validation of a bioanalytical assay based on liquid chromatography-tandem mass spectrometry for measuring biomarkers of exposure of alternative plasticizers in human urine and serum. Talanta. 2019 Jun; 198(?):230-236. doi: 10.1016/j.talanta.2019.02.024. [PMID: 30876555]
  • Samraa H Abdel-Kawi, Khalid S Hashem, Saber Abd-Allah. Mechanism of diethylhexylphthalate (DEHP) induced testicular damage and of grape seed extract-induced protection in the rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2016 Apr; 90(?):64-75. doi: 10.1016/j.fct.2016.02.003. [PMID: 26854921]
  • Manori J Silva, Ella Samandar, Xiaoyun Ye, Antonia M Calafat. In vitro metabolites of di-2-ethylhexyl adipate (DEHA) as biomarkers of exposure in human biomonitoring applications. Chemical research in toxicology. 2013 Oct; 26(10):1498-502. doi: 10.1021/tx400215z. [PMID: 24016063]
  • Hermann Fromme, Ludwig Gruber, Ralph Schuster, Martin Schlummer, Mandy Kiranoglu, Gabriele Bolte, Wolfgang Völkel. Phthalate and di-(2-ethylhexyl) adipate (DEHA) intake by German infants based on the results of a duplicate diet study and biomonitoring data (INES 2). Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2013 Mar; 53(?):272-80. doi: 10.1016/j.fct.2012.12.004. [PMID: 23246700]
  • Justin A Colacino, Amr S Soliman, Antonia M Calafat, Muna S Nahar, Adrienne Van Zomeren-Dohm, Ahmed Hablas, Ibrahim A Seifeldin, Laura S Rozek, Dana C Dolinoy. Exposure to phthalates among premenstrual girls from rural and urban Gharbiah, Egypt: a pilot exposure assessment study. Environmental health : a global access science source. 2011 May; 10(?):40. doi: 10.1186/1476-069x-10-40. [PMID: 21575223]
  • Ahmed Khudhair Hassan, Bahruddin Saad, Sulaiman Ab Ghani, Rohana Adnan, Afidah Abdul Rahim, Norariza Ahmad, Marina Mokhtar, Suham Tawfiq Ameen, Suad Mustafa Al-Araji. Ionophore-based potentiometric sensors for the flow-injection determination of promethazine hydrochloride in pharmaceutical formulations and human urine. Sensors (Basel, Switzerland). 2011; 11(1):1028-42. doi: 10.3390/s110101028. [PMID: 22346617]
  • Zhi-Yong Guo, Pan-Pan Gai, Jing Duan, Jin-Xia Zhai, Sha-Sha Zhao, Sui Wang, Dan-Yi Wei. Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction. Biomedical chromatography : BMC. 2010 Oct; 24(10):1094-9. doi: 10.1002/bmc.1410. [PMID: 20352652]
  • Justin A Colacino, T Robert Harris, Arnold Schecter. Dietary intake is associated with phthalate body burden in a nationally representative sample. Environmental health perspectives. 2010 Jul; 118(7):998-1003. doi: 10.1289/ehp.0901712. [PMID: 20392686]
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  • Hermann Fromme, Ludwig Gruber, Martin Schlummer, Gerd Wolz, Sigrun Böhmer, Jürgen Angerer, Richard Mayer, Bernhard Liebl, Gabriele Bolte. Intake of phthalates and di(2-ethylhexyl)adipate: results of the Integrated Exposure Assessment Survey based on duplicate diet samples and biomonitoring data. Environment international. 2007 Nov; 33(8):1012-20. doi: 10.1016/j.envint.2007.05.006. [PMID: 17610953]
  • Kyoko Nabae, Yuko Doi, Satoru Takahashi, Toshio Ichihara, Chitose Toda, Koji Ueda, Yoshinori Okamoto, Nakao Kojima, Seiko Tamano, Tomoyuki Shirai. Toxicity of di(2-ethylhexyl)phthalate (DEHP) and di(2-ethylhexyl)adipate (DEHA) under conditions of renal dysfunction induced with folic acid in rats: enhancement of male reproductive toxicity of DEHP is associated with an increase of the mono-derivative. Reproductive toxicology (Elmsford, N.Y.). 2006 Oct; 22(3):411-7. doi: 10.1016/j.reprotox.2006.07.003. [PMID: 16952438]
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  • Julie Borch, Ole Ladefoged, Ulla Hass, Anne Marie Vinggaard. Steroidogenesis in fetal male rats is reduced by DEHP and DINP, but endocrine effects of DEHP are not modulated by DEHA in fetal, prepubertal and adult male rats. Reproductive toxicology (Elmsford, N.Y.). 2004 Jan; 18(1):53-61. doi: 10.1016/j.reprotox.2003.10.011. [PMID: 15013064]
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