2,3,4-Trihydroxybenzoic acid (BioDeep_00000017718)

Main id: BioDeep_00000265437

 

human metabolite PANOMIX_OTCML-2023 natural product


代谢物信息卡片


InChI=1/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12

化学式: C7H6O5 (170.0215226)
中文名称: 2,3,4-三羟基苯甲酸 水合物, 2,3,4-三羟基苯甲酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1=CC(=C(C(=C1C(=O)O)O)O)O
InChI: InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)

描述信息

2,3,4-Trihydroxybenzoic acid is a phenol constituent of Pachysandra terminalis. 2,3,4-Trihydroxybenzoic acid, along with other phenol compounds isolated from Pachysandra terminalis, showed significant antioxidant activity (PMID: 20939276).
2,3,4-Trihydroxybenzoic acid is a hydroxybenzoic acid.
2,3,4-Trihydroxybenzoic acid is a natural product found in Betula pendula, Plinia cauliflora, and Phaseolus vulgaris with data available.
2,3,4-Trihydroxybenzoic acid is an internal standard in separation of phenolic acids by HPLC.
2,3,4-Trihydroxybenzoic acid is an internal standard in separation of phenolic acids by HPLC.

同义名列表

28 个代谢物同义名

InChI=1/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12; 4-10-00-01971 (Beilstein Handbook Reference); 2,3,4-Trihydroxybenzene carboxylic acid; 2,3,4-Trihydroxybenzenecarboxylic acid; 2,4-Trihydroxybenzene carboxylic acid; 2,3,4-Trihydroxybenzoic Acid Hydrate; 2,3,4-Trihydroxybenzoic acid, 97\\%; Pyrogallic acid-4-carboxylic acid; Benzoic acid, 2,3,4-trihydroxy-; 2,3,4-Trihydroxy-benzoic acid; Benzoic acid,3,4-trihydroxy-; 2,3,4-Trihydroxybenzoic acid; Pyrogallol-4-carboxylic acid; 2,3,4-TRIHYDROXYBENZOICACID; BRRSNXCXLSVPFC-UHFFFAOYSA-N; 4-Pyrogallolcarboxylic acid; 234-Trihydroxybenzoic acid; 2,4-Trihydroxybenzoic acid; Pyrogallolcarboxylic acid; Benzoic acid, trihydroxy-; 2,3,4-Trihydroxybenzoate; 2,4-Trihydroxybenzoate; 234-Trihydroxybenzoate; trihydroxybenzoic acid; pyrogallolcarboxylate; UNII-AD1ID2JF5O; Oprea1_870375; AD1ID2JF5O



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)

15 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

  • Jin-Hang Li, Fu-Yue Dong, Fang Cai, Xiao-Feng Yuan, Ren-Wang Jiang. 2,3,4-Trihy-droxy-benzoic acid 0.25-hydrate. Acta crystallographica. Section E, Structure reports online. 2012 Mar; 68(Pt 3):o825-6. doi: 10.1107/s160053681200709x. [PMID: 22412689]
  • Susana Tárraga, Purificación Lisón, María Pilar López-Gresa, Cristina Torres, Ismael Rodrigo, José María Bellés, Vicente Conejero. Molecular cloning and characterization of a novel tomato xylosyltransferase specific for gentisic acid. Journal of experimental botany. 2010 Oct; 61(15):4325-38. doi: 10.1093/jxb/erq234. [PMID: 20729481]
  • Prontipa Nokthai, Vannajan Sanghiran Lee, Lalida Shank. Molecular modeling of peroxidase and polyphenol oxidase: substrate specificity and active site comparison. International journal of molecular sciences. 2010 Sep; 11(9):3266-76. doi: 10.3390/ijms11093266. [PMID: 20957092]
  • Huiyuan Zhai, Chenyang Li, Sheng'an Tang, Hongquan Duan. [Phenol constituents of Pachysandra terminalis and their antioxidant activity]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2010 Jul; 35(14):1820-3. doi: 10.4268/cjcmm20101411. [PMID: 20939276]