1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-glucopyranuronic acid (BioDeep_00001028573)
代谢物信息卡片
化学式: C19H26O8 (382.1628)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
InChI: InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1
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)
- Ibuprofen Action Pathway:
Glutathione + Leukotriene A4 ⟶ Leukotriene C4 - Ibuprofen Metabolism Pathway:
3-Hydroxyibuprofen + Oxygen + Water ⟶ Carboxy-ibuprofen + Hydrogen peroxide
PharmGKB(0)
0 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 |
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文献列表
- Robert W Smith, Danielle E Toutoungi, James C Reynolds, Anthony W T Bristow, Andrew Ray, Ashley Sage, Ian D Wilson, Daniel J Weston, Billy Boyle, Colin S Creaser. Enhanced performance in the determination of ibuprofen 1-β-O-acyl glucuronide in urine by combining high field asymmetric waveform ion mobility spectrometry with liquid chromatography-time-of-flight mass spectrometry.
Journal of chromatography. A.
2013 Feb; 1278(?):76-81. doi:
10.1016/j.chroma.2012.12.065. [PMID: 23336944] - Toshihisa Koga, Ryoichi Fujiwara, Miki Nakajima, Tsuyoshi Yokoi. Toxicological evaluation of acyl glucuronides of nonsteroidal anti-inflammatory drugs using human embryonic kidney 293 cells stably expressing human UDP-glucuronosyltransferase and human hepatocytes.
Drug metabolism and disposition: the biological fate of chemicals.
2011 Jan; 39(1):54-60. doi:
10.1124/dmd.110.035600. [PMID: 20926620] - Stephen J Vanderhoeven, John C Lindon, Jeff Troke, Jeremy K Nicholson, Ian D Wilson. NMR spectroscopic studies of the transacylation reactivity of ibuprofen 1-beta-O-acyl glucuronide.
Journal of pharmaceutical and biomedical analysis.
2006 Jun; 41(3):1002-6. doi:
10.1016/j.jpba.2006.01.006. [PMID: 16483736] - M Castillo, Y W Lam, M A Dooley, E Stahl, P C Smith. Disposition and covalent binding of ibuprofen and its acyl glucuronide in the elderly.
Clinical pharmacology and therapeutics.
1995 Jun; 57(6):636-44. doi:
10.1016/0009-9236(95)90226-0. [PMID: 7781263] - M Castillo, P C Smith. Disposition and reactivity of ibuprofen and ibufenac acyl glucuronides in vivo in the rhesus monkey and in vitro with human serum albumin.
Drug metabolism and disposition: the biological fate of chemicals.
1995 May; 23(5):566-72. doi:
NULL. [PMID: 7587932] - M Castillo, P C Smith. Direct determination of ibuprofen and ibuprofen acyl glucuronide in plasma by high-performance liquid chromatography using solid-phase extraction.
Journal of chromatography.
1993 Apr; 614(1):109-16. doi:
10.1016/0378-4347(93)80229-w. [PMID: 8496270]
