2-Ethylbutanoic acid (BioDeep_00000017679)

 

Secondary id: BioDeep_00000867909

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8

化学式: C6H12O2 (116.08372519999999)
中文名称: 2-乙基丁酸, 2-乙基丁酸
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.94%

分子结构信息

SMILES: CCC(CC)C(=O)O
InChI: InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

描述信息

2-Ethylbutanoic acid is a branched-chain fatty acid.
2-Ethylbutyric acid is a natural product found in Nicotiana tabacum and Pelargonium graveolens with data available.
2-Ethylbutanoic acid occurs in bread crusts and geranium oil. Also found in tobacco vapour
Occurs in bread crusts and geranium oiland is also found in tobacco vapours.
2-Ethylbutyric acid acts as an internal standard (IS) in a standard addition calibration method for the VFA analysis of faeces[1].

同义名列表

44 个代谢物同义名

InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8; 4-02-00-00950 (Beilstein Handbook Reference); 2-Ethylbutyric acid, >=98\\%, FCC, FG; Kyselina diethyloctova [Czech]; 2-ETHYLBUTYRIC ACID [FHFI]; 3-Pentane-Carboxylic Acid; 2-ETHYLBUTYRIC ACID [FCC]; 2-Ethylbutyric acid, 99\\%; pentane-3-carboxylic acid; .alpha.-Ethylbutyric acid; 3-Pentanecarboxylic acid; alpha-Ethylbuytyric acid; 2-Ethylbutyric acid, 8CI; alpha-Ethylbutyric acid; DIETHYLACETIC ACID [MI]; Butanoic acid, 2-ethyl-; Butyric acid, 2-ethyl-; 2-Ethyl-n-butyric acid; Kyselina diethyloctova; Acetic acid, diethyl-; 2-ethyl-butanoic acid; 2-Ethyl butanoic acid; 2-Ethylbutanoic acid; 2-Ethyl-butyric acid; diethyl-acetic acid; a-Ethylbutyric Acid; 2-Ethylbutanoicacid; diethyl acetic acid; 2-Ethylbutyric acid; Diethylacetic acid; ethylbutyric acid; Diathylessigsaure; 2-Ethylbutanoate; 2-Ethyl-butyrate; UNII-IDY8B990KE; Diethyl acetate; (C2H5)2CHCOOH; Tox21_301054; CAS-88-09-5; WLN: QVY2&2; IDY8B990KE; AI3-04629; FEMA 2429; FA 6:0



数据库引用编号

11 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)

4 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

  • Asa Håkansson, Camilla Bränning, Göran Molin, Diya Adawi, Marie-Louise Hagslätt, Bengt Jeppsson, Margareta Nyman, Siv Ahrné. Blueberry husks and probiotics attenuate colorectal inflammation and oncogenesis, and liver injuries in rats exposed to cycling DSS-treatment. PloS one. 2012; 7(3):e33510. doi: 10.1371/journal.pone.0033510. [PMID: 22457771]
  • Jørgen Valeur, Mette Helvik Morken, Elisabeth Norin, Tore Midtvedt, Arnold Berstad. Intestinal fermentation in patients with self-reported food hypersensitivity: painful, but protective?. Clinical and experimental gastroenterology. 2010; 3(?):65-70. doi: 10.2147/ceg.s11349. [PMID: 21694848]
  • Mohammad Al-Mamun, Kunio Goto, Sota Chiba, Hiroaki Sano. Responses of plasma acetate metabolism to hop (Humulus lupulus L.) in sheep. International journal of biological sciences. 2009; 5(3):287-92. doi: 10.7150/ijbs.5.287. [PMID: 19365576]
  • Nadia Osman, Diya Adawi, Göran Molin, Siv Ahrne, Anna Berggren, Bengt Jeppsson. Bifidobacterium infantis strains with and without a combination of oligofructose and inulin (OFI) attenuate inflammation in DSS-induced colitis in rats. BMC gastroenterology. 2006 Oct; 6(?):31. doi: 10.1186/1471-230x-6-31. [PMID: 17069659]
  • A Brock. Binding of digitoxin to human serum albumin: influence of ionic strength and ionic medium on the digitoxin-albumin complex formation. Acta pharmacologica et toxicologica. 1975 Nov; 37(5):361-8. doi: 10.1111/j.1600-0773.1975.tb00854.x. [PMID: 887]