N-Deschlorobenzoyl indomethacin (BioDeep_00000033171)

   

human metabolite Endogenous blood metabolite


代谢物信息卡片


2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid

化学式: C12H13NO3 (219.0895388)
中文名称: 5-甲氧基-2-甲基-3-吲哚乙酸
谱图信息: 最多检出来源 Homo sapiens(blood) 38.46%

分子结构信息

SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O
InChI: InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)

描述信息

N-Deschlorobenzoyl indomethacin is only found in individuals that have used or taken Indomethacin. N-Deschlorobenzoyl indomethacin is a metabolite of Indomethacin. N-deschlorobenzoyl indomethacin belongs to the family of Indole-3-acetic Acid Derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids

同义名列表

10 个代谢物同义名

2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid; (5-methoxy-2-methyl-1H-indol-3-yl)acetic acid; 2-(5-Methoxy-2-methyl-1H-indol-3-yl)acetate; 5-methoxy-2-methyl-3-indoleacetic acid; 5-Methoxy-2-methyl-3-indoleacetate; 5-Methoxy-methylindoleacetic acid; (Des-4-chlorobenzoyl)indomethacin; N-Deschlorobenzoyl indomethacin; Deschlorobenzoylindomethacin; DBI



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

  • Milan Soskić, Volker Magnus. Binding of ring-substituted indole-3-acetic acids to human serum albumin. Bioorganic & medicinal chemistry. 2007 Jul; 15(13):4595-600. doi: 10.1016/j.bmc.2007.04.005. [PMID: 17481907]
  • Sharon Rossiter, Lisa K Folkes, Peter Wardman. Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy. Bioorganic & medicinal chemistry letters. 2002 Sep; 12(18):2523-6. doi: 10.1016/s0960-894x(02)00505-x. [PMID: 12182852]
  • T B Vree, M van den Biggelaar-Martea, C P Verwey-van Wissen. Determination of indomethacin, its metabolites and their glucuronides in human plasma and urine by means of direct gradient high-performance liquid chromatographic analysis. Preliminary pharmacokinetics and effect of probenecid. Journal of chromatography. 1993 Jul; 616(2):271-82. doi: 10.1016/0378-4347(93)80395-k. [PMID: 8376508]
  • P C Smith, L Z Benet. High-performance liquid chromatographic method for the determination of indomethacin and its two primary metabolites in urine. Journal of chromatography. 1984 Mar; 306(?):315-21. doi: 10.1016/s0378-4347(00)80893-2. [PMID: 6715469]
  • W I Rosenblum, B Landa. Five methoxy-2-methyl-3-indole acetic acid. A metabolite and alkali hydrolysis product of indomethacin, markedly inhibits platelet aggregation only in the presence of aorta or a product released by aorta. Prostaglandins, leukotrienes, and medicine. 1982 Feb; 8(2):125-32. doi: 10.1016/s0262-1746(82)80004-8. [PMID: 6804990]
  • W I Rosenblum, F El-Sabban, G H Nelson. 5-methoxy-2-methyl-3-indole acetic acid, a metabolite and alkali hydrolysis product of indomethacin, inhibits platelet aggregation, in vivo. Prostaglandins. 1981 Apr; 21(4):667-73. doi: 10.1016/0090-6980(81)90015-0. [PMID: 7255746]
  • M J HALPERN, P A LISBOA. [Action of phenformin (phenylethylbiguanide or DBI) on organo-aciduria in diabetics (Preliminary note)]. Jornal da Sociedade das Ciencias Medicas de Lisboa. 1960 Nov; 124(?):770-8. doi: NULL. [PMID: 13710919]