Hydrogenated MDI (BioDeep_00000179836)

   

human metabolite blood metabolite


代谢物信息卡片


Methylene bis(4-cyclohexylisocyanate), (trans-trans)-isomer

化学式: C15H22N2O2 (262.1681192)
中文名称: 二环己甲烷4,4-二异氰酸酯 (异构体混合物)
谱图信息: 最多检出来源 Homo sapiens(blood) 50%

分子结构信息

SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O
InChI: InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2

描述信息

同义名列表

22 个代谢物同义名

Methylene bis(4-cyclohexylisocyanate), (trans-trans)-isomer; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; Isocyanic acid, methylenedi-4,1-cyclohexylene ester; Isocyanate, methylenedi-4,1-cyclohexylene ester; 4,4-Methylenedi(cyclohexyl isocyanic acid); Methylene bis-(4-cyclohexylisocyanic acid); Methylene bis(4-cyclohexylisocyanic acid); Dicyclohexylmethane-4,4-di-isocyanic acid; Dicyclohexylmethane 4,4-diisocyanic acid; 4,4-Methylene biscyclohexyl diisocyanate; Methylene bis-(4-cyclohexylisocyanate); 4,4-Methylenedi(cyclohexyl isocyanate); Dicyclohexylmethane-4,4-di-isocyanate; Methylene-bis(4-cyclohexylisocyanate); Dicyclohexylmethane-4,4-diisocyanate; Dicyclohexylmethane 4,4-diisocyanate; 4,4-Diisocyanatodicyclohexylmethane; Bis(4-isocyanatocyclohexyl)methane; Hydrogenated MDI; Hylene W; HMDI CPD; HMDI



数据库引用编号

10 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

  • 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]
  • 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 H Karol, B A Hauth. Use of hexyl isocyanate antigen to detect antibodies to hexamethylene diisocyanate (HDI) in sensitized guinea pigs and in a sensitized worker. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1982 May; 2(3):108-13. doi: 10.1016/s0272-0590(82)80090-0. [PMID: 6821040]