2-Hydroxyibuprofen (BioDeep_00000054363)

   

human metabolite Endogenous blood metabolite Chemicals and Drugs Volatile Flavor Compounds


代谢物信息卡片


2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid

化学式: C13H18O3 (222.1255878)
中文名称: 2-羟基布洛芬
谱图信息: 最多检出来源 Homo sapiens(feces) 58.2%

分子结构信息

SMILES: CC(C(O)=O)C1=CC=C(CC(C)(C)O)C=C1
InChI: InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)

描述信息

2-Hydroxyibuprofen is a metabolite of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for relief of symptoms of arthritis, fever, as an analgesic (pain reliever), especially where there is an inflammatory component, and dysmenorrhea. Ibuprofen is known to have an antiplatelet effect, though it is relatively mild and somewhat short-lived when compared with aspirin or other better-known antiplatelet drugs. (Wikipedia)

同义名列表

8 个代谢物同义名

2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid; 2,4-(2-Hydroxy-2-methylpropyl)phenylpropionic acid; 2,4-(2-Hydroxy-2-methylpropyl)phenylpropionate; 2-Hydroxy Ibuprofen; 2-Hydroxyibuprofen; Hydroxyibuprofen; Ibuprofen OH; 2-Hydroxyibuprofen



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

2 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(2)

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

  • Taylan Dolu, Bilgehan Nas. Dissemination of nonsteroidal anti-inflammatory drugs (NSAIDs) and metabolites from wastewater treatment plant to soils and agricultural crops via real-scale different agronomic practices. Environmental research. 2023 06; 227(?):115731. doi: 10.1016/j.envres.2023.115731. [PMID: 36958380]
  • Emilia Waraksa, Marzena Wójtowicz-Zawadka, Dorota Kwiatkowska, Anna Jarek, Anna Małkowska, Robert Wrzesień, Jacek Namieśnik. Simultaneous determination of ibuprofen and its metabolites in complex equine urine matrices by GC-EI-MS in excretion study in view of doping control. Journal of pharmaceutical and biomedical analysis. 2018 Apr; 152(?):279-288. doi: 10.1016/j.jpba.2018.02.004. [PMID: 29453024]
  • Yolanda Picó, Rodrigo Alvarez-Ruiz, Leonard Wijaya, Ahmed Alfarhan, Mohammed Alyemeni, Damià Barceló. Analysis of ibuprofen and its main metabolites in roots, shoots, and seeds of cowpea (Vigna unguiculata L. Walp) using liquid chromatography-quadrupole time-of-flight mass spectrometry: uptake, metabolism, and translocation. Analytical and bioanalytical chemistry. 2018 Jan; 410(3):1163-1176. doi: 10.1007/s00216-017-0796-6. [PMID: 29285645]
  • Víctor Matamoros, Loc Xuan Nguyen, Carlos A Arias, Victòria Salvadó, Hans Brix. Evaluation of aquatic plants for removing polar microcontaminants: a microcosm experiment. Chemosphere. 2012 Aug; 88(10):1257-64. doi: 10.1016/j.chemosphere.2012.04.004. [PMID: 22560181]
  • Isabella Levreri, Ubaldo Caruso, Franca Deiana, Antonella Buoncompagni, Bruno De Bernardi, Nora Marchese, Giovanni Melioli. The secretion of ibuprofen metabolites interferes with the capillary chromatography of urinary homovanillic acid and 4-hydroxy-3-methoxymandelic acid in neuroblastoma diagnosis. Clinical chemistry and laboratory medicine. 2005; 43(2):173-7. doi: 10.1515/cclm.2005.029. [PMID: 15843212]
  • M Garba, I A Yakasai, M T Bakare, H Y Munir. Effect of Tamarindus indica. L on the bioavailability of ibuprofen in healthy human volunteers. European journal of drug metabolism and pharmacokinetics. 2003 Jul; 28(3):179-84. doi: 10.1007/bf03190483. [PMID: 14527090]
  • I A Yakasai. Effect of sodium/potassium salt (potash) on the bioavailability of ibuprofen in healthy human volunteers. European journal of drug metabolism and pharmacokinetics. 2003 Apr; 28(2):93-9. doi: 10.1007/bf03190495. [PMID: 12877565]
  • S C Tan, B K Patel, S H Jackson, C G Swift, A J Hutt. Ibuprofen stereochemistry: double-the-trouble?. Enantiomer. 1999; 4(3-4):195-203. doi: ". [PMID: 10550887]
  • I Bjørnsdottir, D R Kepp, J Tjørnelund, S H Hansen. Separation of the enantiomers of ibuprofen and its major phase I metabolites in urine using capillary electrophoresis. Electrophoresis. 1998 Mar; 19(3):455-60. doi: 10.1002/elps.1150190316. [PMID: 9551801]
  • S C Tan, S H Jackson, C G Swift, A J Hutt. Stereospecific analysis of the major metabolites of ibuprofen in urine by sequential achiral-chiral high-performance liquid chromatography. Journal of chromatography. B, Biomedical sciences and applications. 1997 Nov; 701(1):53-63. doi: 10.1016/s0378-4347(97)00338-1. [PMID: 9389338]