2-Acetylpyrrole (BioDeep_00000023057)

 

Secondary id: BioDeep_00000600454, BioDeep_00000860443

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


1-(1H-Pyrrol-2-yl)ethanone (acetylpyrrole)

化学式: C6H7NO (109.0527612)
中文名称: 2-乙酰吡咯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.22%

分子结构信息

SMILES: CC(=O)C1=CC=CN1
InChI: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3

描述信息

2-acetylpyrrole, also known as 1-(1h-pyrrol-2-yl)1-ethanone or 2-pyrrolyl methyl ketone, is a member of the class of compounds known as aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 2-acetylpyrrole is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetylpyrrole is a bread, coumarin, and licorice tasting compound and can be found in a number of food items such as green vegetables, tea, nuts, and white mustard, which makes 2-acetylpyrrole a potential biomarker for the consumption of these food products.
2-Acetylpyrrole, also known as fema 3202 or pyrrole, 2-acetyl, belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 2-Acetylpyrrole is a bread, nut, and walnut tasting compound. 2-Acetylpyrrole has been detected, but not quantified, in tea. This could make 2-acetylpyrrole a potential biomarker for the consumption of these foods. A pyrrole carrying an acetyl substituent at the 2-position.
2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].
2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].

同义名列表

29 个代谢物同义名

1-(1H-Pyrrol-2-yl)ethanone (acetylpyrrole); 1-(1H-Pyrrol-2-yl)ethanone, 9ci; 1-(1H-Pyrrol-2-yl)ethan-1-one; 1-(1H-Pyrrole-2-yl)-ethanone; 1-(1H-Pyrrol-2-yl)1-ethanone; 1-(1H-Pyrrol-2-yl)-ethanone; Pyrrole-alpha-methyl ketone; 1-(1H-Pyrrol-2-yl)ethanone; Ketone, methyl pyrrol-2-yl; PYRRYL-alpha-methyl ketone; 1-(2-Pyrrolyl)-1-ethanone; Methyl pyrrol-2-yl ketone; Methyl 2-pyrrolyl ketone; 2-Pyrrolyl methyl ketone; Pyrrole-b-methyl ketone; Pyrrole-α-methyl ketone; Pyrrole-a-methyl ketone; Methyl 2-pyrryl ketone; Pyrrol-2-methylketone; 1H-Pyrrole, 2-acetyl; 2-Acetyl-1H-pyrrole; Pseudoacetylpyrrole; 2-Pyrrolylethanone; 2-Acetyl-1H-indole; Pyrrole, 2-acetyl; 2-Acetyl pyrrole; 2-ACETYLPYRROLE; 2-Acetopyrrole; FEMA 3202



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

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代谢反应

0 个相关的代谢反应过程信息。

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14 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

  • Xiaoming Lu, Ningyang Li, Xuguang Qiao, Zhichang Qiu, Pengli Liu. Composition analysis and antioxidant properties of black garlic extract. Journal of food and drug analysis. 2017 04; 25(2):340-349. doi: 10.1016/j.jfda.2016.05.011. [PMID: 28911676]
  • Sanghae Nam, Hae Won Jang, Takayuki Shibamoto. Antioxidant activities of extracts from teas prepared from medicinal plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata , and their volatile components. Journal of agricultural and food chemistry. 2012 Sep; 60(36):9097-105. doi: 10.1021/jf301800x. [PMID: 22871255]
  • Ping-Chung Kuo, Yan-Yu Lai, Ying-Jie Chen, Wei-Hung Yang, Jason T C Tzen. Changes in volatile compounds upon aging and drying in oolong tea production. Journal of the science of food and agriculture. 2011 Jan; 91(2):293-301. doi: 10.1002/jsfa.4184. [PMID: 20945506]
  • Francisco J Hidalgo, Fátima Nogales, Rosario Zamora. Effect of the pyrrole polymerization mechanism on the antioxidative activity of nonenzymatic browning reactions. Journal of agricultural and food chemistry. 2003 Sep; 51(19):5703-8. doi: 10.1021/jf034369u. [PMID: 12952422]
  • F Hayase, R H Nagaraj, S Miyata, F G Njoroge, V M Monnier. Aging of proteins: immunological detection of a glucose-derived pyrrole formed during maillard reaction in vivo. The Journal of biological chemistry. 1989 Mar; 264(7):3758-64. doi: 10.1016/s0021-9258(19)84914-1. [PMID: 2917974]