Hygrine (BioDeep_00000006076)

 

Secondary id: BioDeep_00001869158

human metabolite natural product


代谢物信息卡片


1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one

化学式: C8H15NO (141.1154)
中文名称: 古豆碱
谱图信息: 最多检出来源 Viridiplantae(plant) 43.73%

分子结构信息

SMILES: CC(=O)CC1CCCN1C
InChI: InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3

描述信息

Hygrine, also known as (+)-hygrine or (+)-N-methyl-2-acetonylpyrrolidine, belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Hygrine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Hygrine can be found in pomegranate, which makes hygrine a potential biomarker for the consumption of this food product. Hygrine is a pyrrolidine alkaloid, found mainly in coca leaves (0.2\\%). It was first isolated by Carl Liebermann in 1889 (along with a related compound cuscohygrine) as an alkaloid accompanying cocaine in coca. Hygrine is extracted as a thick yellow oil, having a pungent taste and odor .

同义名列表

14 个代谢物同义名

1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one; 1-[(2R)-1-Methyl-2-pyrrolidinyl]-2-propanone; (R)-1-(1-Methyl-2-pyrrolidinyl)-2-propanone; 1-[(2R)-1-Methylpyrrolidin-2-yl]acetone; Hygrine, 2-(14)C-labeled, (+-)-isomer; (+)-N-Methyl-2-acetonylpyrrolidine; 1-(1-methylpyrrolidin-2-yl)acetone; (R)-(+)-Hygrine; D-(+)-Hygrine; (+)-Hygrine; (R)-Hygrine; hygrine; Hygrine; Hygrine



数据库引用编号

23 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(5)

代谢反应

23 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(3)

INOH(0)

PlantCyc(20)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

172 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

  • Nelida Cristina Rubio, Denise Thurmann, Franziska Krumbiegel, Fritz Pragst. Behaviour of hygrine and cuscohygrine in illicit cocaine production establishes their use as markers for chewing coca leaves in contrast with cocaine abuse. Drug testing and analysis. 2017 Feb; 9(2):323-326. doi: 10.1002/dta.1972. [PMID: 27004438]
  • Nelida Cristina Rubio, Martin Hastedt, Jorge Gonzalez, Fritz Pragst. Possibilities for discrimination between chewing of coca leaves and abuse of cocaine by hair analysis including hygrine, cuscohygrine, cinnamoylcocaine and cocaine metabolite/cocaine ratios. International journal of legal medicine. 2015 Jan; 129(1):69-84. doi: 10.1007/s00414-014-1061-6. [PMID: 25138383]
  • N C Rubio, S Strano-Rossi, M J Tabernero, J L Gonzalez, L Anzillotti, M Chiarotti, A M Bermejo. Application of hygrine and cuscohygrine as possible markers to distinguish coca chewing from cocaine abuse on WDT and forensic cases. Forensic science international. 2014 Oct; 243(?):30-4. doi: 10.1016/j.forsciint.2014.02.024. [PMID: 24656326]
  • C Rubio, S Strano-Rossi, M J Tabernero, L Anzillotti, M Chiarotti, A M Bermejo. Hygrine and cuscohygrine as possible markers to distinguish coca chewing from cocaine abuse in workplace drug testing. Forensic science international. 2013 Apr; 227(1-3):60-3. doi: 10.1016/j.forsciint.2012.09.005. [PMID: 23063180]
  • Ingeborg Boxman, Remco Dijkman, Linda Verhoef, Angelique Maat, Geert van Dijk, Harry Vennema, Marion Koopmans. Norovirus on swabs taken from hands illustrate route of transmission: a case study. Journal of food protection. 2009 Aug; 72(8):1753-5. doi: 10.4315/0362-028x-72.8.1753. [PMID: 19722414]