Isophorone diisocyanate (BioDeep_00000180171)

   

human metabolite blood metabolite Volatile Flavor Compounds


代谢物信息卡片


Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester

化学式: C12H18N2O2 (222.1368208)
中文名称: 异佛尔酮二异氰酸酯(异构体的混合物), 异佛尔酮二异氰酸酯
谱图信息: 最多检出来源 Homo sapiens(blood) 85.71%

分子结构信息

SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
InChI: InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3

描述信息

同义名列表

12 个代谢物同义名

Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester; Isocyanate, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanic acid; 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate; Isophorone diamine diisocyanic acid; Isophorone diamine diisocyanate; Isophorone diisocyanic acid; ISOPHORONE DIISOCYANATE; UNII:43B0856528; IPDI; Isophorone diisocyanate



数据库引用编号

6 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

  • Anbreen Anjum, Mohammad Zuber, Khalid Mahmood Zia, Muhammad Naveed Anjum, Waseem Aftab. Preparation and characterization of guar gum based polyurethanes. International journal of biological macromolecules. 2021 Jul; 183(?):2174-2183. doi: 10.1016/j.ijbiomac.2021.06.025. [PMID: 34102237]
  • Chen Wang, Xiaorui Li, Peizhi Li, Yuhua Niu. Interactions between fluorinated cationic guar gum and surfactants in the dilute and semi-dilute solutions. Carbohydrate polymers. 2014 Jan; 99(?):638-45. doi: 10.1016/j.carbpol.2013.08.083. [PMID: 24274554]
  • Lygia T Budnik, Dennis Nowak, Rolf Merget, Catherine Lemiere, Xaver Baur. Elimination kinetics of diisocyanates after specific inhalative challenges in humans: mass spectrometry analysis, as a basis for biomonitoring strategies. Journal of occupational medicine and toxicology (London, England). 2011 Mar; 6(1):9. doi: 10.1186/1745-6673-6-9. [PMID: 21447151]
  • John Cocker. Biological monitoring for isocyanates. The Annals of occupational hygiene. 2011 Mar; 55(2):127-31. doi: 10.1093/annhyg/meq083. [PMID: 21252056]
  • Stefan Sinn, Mirjam Eichler, Lothar Müller, Daniel Bünger, Jürgen Groll, Gerhard Ziemer, Frank Rupp, Hinnak Northoff, Jürgen Geis-Gerstorfer, Frank K Gehring, Hans P Wendel. NCO-sP(EO-stat-PO) coatings on gold sensors--a QCM study of hemocompatibility. Sensors (Basel, Switzerland). 2011; 11(5):5253-69. doi: 10.3390/s110505253. [PMID: 22163899]
  • Tingting Liu, Xiujun Yu, Bing Kan, Qingfa Guo, Xiuhong Wang, Shuai Shi, Gang Guo, Feng Luo, Xia Zhao, Yuquan Wei, Zhiyong Qian. Enhanced gene delivery using biodegradable poly(ester amine)s (PEAs) based on low-molecular-weight polyethylenimine and poly(epsilon-caprolactone)-pluronic-poly(epsilon-caprolactone). Journal of biomedical nanotechnology. 2010 Aug; 6(4):351-9. doi: 10.1166/jbn.2010.1129. [PMID: 21323108]
  • Yuting Wen, Shirong Pan, Xin Luo, Wei Zhang, Yuan Shen, Min Feng. PEG- and PDMAEG-graft-modified branched PEI as novel gene vector: synthesis, characterization and gene transfection. Journal of biomaterials science. Polymer edition. 2010; 21(8-9):1103-26. doi: 10.1163/092050609x12459295750316. [PMID: 20507711]
  • Karin Broberg, Håkan Tinnerberg, Anna Axmon, Margareta Warholm, Agneta Rannug, Margareta Littorin. Influence of genetic factors on toluene diisocyanate-related symptoms: evidence from a cross-sectional study. Environmental health : a global access science source. 2008 Apr; 7(?):15. doi: 10.1186/1476-069x-7-15. [PMID: 18447907]
  • Aimen K Farraj, Elizabeth Boykin, Najwa Haykal-Coates, Stephen H Gavett, Donald Doerfler, Maryjane Selgrade. Th2 Cytokines in Skin Draining Lymph Nodes and Serum IgE Do Not Predict Airway Hypersensitivity to Intranasal Isocyanate Exposure in Mice. Toxicological sciences : an official journal of the Society of Toxicology. 2007 Nov; 100(1):99-108. doi: 10.1093/toxsci/kfm194. [PMID: 17693426]
  • Maryjanek Selgrade, Elizabeth H Boykin, Najwa Haykal-Coates, Michael R Woolhiser, Connie Wiescinski, Debora L Andrews, Aimen K Farraj, Donald L Doerfler, Stephen H Gavett. Inconsistencies between cytokine profiles, antibody responses, and respiratory hyperresponsiveness following dermal exposure to isocyanates. Toxicological sciences : an official journal of the Society of Toxicology. 2006 Nov; 94(1):108-17. doi: 10.1093/toxsci/kfl094. [PMID: 16940033]
  • H Tinnerberg, G Skarping, M Dalene, L Hagmar. Test chamber exposure of humans to 1,6-hexamethylene diisocyanate and isophorone diisocyanate. International archives of occupational and environmental health. 1995; 67(6):367-74. doi: 10.1007/bf00381050. [PMID: 8567087]
  • G Skarping, M D Dalene, H Tinnerberg. Biological monitoring of hexamethylene- and isophorone-diisocyanate by the determination of hexamethylene- and isophorone-diamine in hydrolysed urine using liquid chromatography and mass spectrometry. The Analyst. 1994 Sep; 119(9):2051-5. doi: 10.1039/an9941902051. [PMID: 7978332]
  • R J Dearman, D A Basketter, I Kimber. Variable effects of chemical allergens on serum IgE concentration in mice. Preliminary evaluation of a novel approach to the identification of respiratory sensitizers. Journal of applied toxicology : JAT. 1992 Oct; 12(5):317-23. doi: 10.1002/jat.2550120505. [PMID: 1447476]
  • R J Dearman, L M Spence, I Kimber. Characterization of murine immune responses to allergenic diisocyanates. Toxicology and applied pharmacology. 1992 Feb; 112(2):190-7. doi: 10.1016/0041-008x(92)90187-w. [PMID: 1539157]
  • M L Stern, T A Brown, R D Brown, A E Munson. Contact hypersensitivity response to isophorone diisocyanate in mice. Drug and chemical toxicology. 1989 Sep; 12(3-4):287-96. doi: 10.3109/01480548908999159. [PMID: 2632247]