1,2-Diacylglycerol-LD-PI-pool (BioDeep_00000054967)

   

human metabolite


代谢物信息卡片


Phenyl isocyanate, 14C-labeled CPD

化学式: C7H5NO (119.03711200000001)
中文名称: 异氰酸苯酯, 苯基异氰酸酯
谱图信息: 最多检出来源 Homo sapiens(not specific) 20%

分子结构信息

SMILES: C1=CC=C(C=C1)N=C=O
InChI: InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

描述信息

1,2-Diacylglycerol-LD-PI-pool, also known as PI or Carba0, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,2-Diacylglycerol-LD-PI-pool is considered to be practically insoluble (in water) and basic. 1,2-Diacylglycerol-LD-PI-pool is a non-carcinogenic (not listed by IARC) potentially toxic compound

同义名列表

15 个代谢物同义名

Phenyl isocyanate, 14C-labeled CPD; 1,2-Diacylglycerol-LD-PI-pool; Isocyanic acid, phenyl ester; Isocyanate, phenyl ester; Phenyl isocyanic acid; Phenyl carbonimide; phenyl isocyanate; isocyanatobenzene; Phenylisocyanate; Phenylcarbimide; Carbanil; PhNCO; PIC; PI; Phenyl isocyanate



数据库引用编号

5 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

  • Ishrat Jabeen, Karin Pleban, Uwe Rinner, Peter Chiba, Gerhard F Ecker. Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein. Journal of medicinal chemistry. 2012 Apr; 55(7):3261-73. doi: 10.1021/jm201705f. [PMID: 22452412]
  • Hui Wei, Bryon S Donohoe, Todd B Vinzant, Peter N Ciesielski, Wei Wang, Lynn M Gedvilas, Yining Zeng, David K Johnson, Shi-You Ding, Michael E Himmel, Melvin P Tucker. Elucidating the role of ferrous ion cocatalyst in enhancing dilute acid pretreatment of lignocellulosic biomass. Biotechnology for biofuels. 2011 Nov; 4(?):48. doi: 10.1186/1754-6834-4-48. [PMID: 22074910]
  • H Tinnerberg, C J Sennbro, B A G Jönsson. Aniline in hydrolyzed urine and plasma--possible biomarkers for phenylisocyanate exposure. Journal of occupational and environmental hygiene. 2008 Oct; 5(10):629-32. doi: 10.1080/15459620802275411. [PMID: 18666023]
  • Gabriele Sabbioni, Hansjörg Wesp, Jürgen Lewalter, Richard Rumler. Determination of isocyanate biomarkers in construction site workers. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals. 2007 Sep; 12(5):468-83. doi: 10.1080/13547500701395636. [PMID: 17701746]
  • Matthew E Szapacs, James N Riggins, Lisa J Zimmerman, Daniel C Liebler. Covalent adduction of human serum albumin by 4-hydroxy-2-nonenal: kinetic analysis of competing alkylation reactions. Biochemistry. 2006 Sep; 45(35):10521-8. doi: 10.1021/bi060535q. [PMID: 16939204]
  • K H Park, J Ehrler, H Spoerri, M J Kurth. Preparation of a 990-member chemical compound library of hydantoin- and isoxazoline-containing heterocycles using multipin technology. Journal of combinatorial chemistry. 2001 Mar; 3(2):171-6. doi: 10.1021/cc0000702. [PMID: 11300857]
  • L O Rosik, F Sweet. Electrophilic analogues of daunorubicin and doxorubicin. Bioconjugate chemistry. 1990 Jul; 1(4):251-6. doi: 10.1021/bc00004a004. [PMID: 2096917]
  • R I Hollingsworth, R W Carlson. 27-Hydroxyoctacosanoic acid is a major structural fatty acyl component of the lipopolysaccharide of Rhizobium trifolii ANU 843. The Journal of biological chemistry. 1989 Jun; 264(16):9300-3. doi: ". [PMID: 2722834]
  • R Z Jin, M H Karol. Diisocyanate antigens that detect specific antibodies in exposed workers and guinea pigs. Chemical research in toxicology. 1988 Sep; 1(5):288-93. doi: 10.1021/tx00005a006. [PMID: 2979745]
  • G Pflugmann, H Spahn, E Mutschler. Determination of metoprolol enantiomers in plasma and urine using (S)-(-)-phenylethyl isocyanate as a chiral reagent. Journal of chromatography. 1987 Oct; 421(1):161-4. doi: 10.1016/0378-4347(87)80392-4. [PMID: 3429563]
  • 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]