Betonicine (BioDeep_00000003442)

 

Secondary id: BioDeep_00000018615, BioDeep_00001868698

human metabolite Endogenous blood metabolite Volatile Flavor Compounds natural product


代谢物信息卡片


(2S-trans)-2-Carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium

化学式: C7H13NO3 (159.0895388)
中文名称: 左旋水苏碱, （2R，4S）-4-羟基-1,1-二甲基吡咯烷-2-羧酸酯
谱图信息: 最多检出来源 Homo sapiens(urine) 0.98%

分子结构信息

SMILES: C[N+]1(C)CC(O)C[C@@H]1C(=O)[O-]
InChI: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1

描述信息

Betonicine (4-hydroxy-L-prolinebetaine) and its cis isomer, turicine, are naturally occurring substituted pyrrolidines. It is not naturally produced by humans and can only be obtained through consumption of certain plant products. Betonicine was used as an analgesic 1000 years ago and is still available commercially from herbalists today. Betonicine has been isolated from Achillea millefolium L. (common yarrow) and probably from A. atrata L. (black yarrow); it is an alkaloid. Betonicine has been identified as a metabolically inert cell protectant that protects plants against extremes in osmolarity and growth temperatures. Betonicine is found in the fruit juices of yellow orange, blood orange, lemon, mandarin and bitter orange (PMID: 21838291)
KEIO_ID B090

同义名列表

16 个代谢物同义名

(2S-trans)-2-Carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium; (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate; 4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate; trans-4-Hydroxy-L-proline betaine; trans-4-Hydroxyproline betaine; 4-Hydroxy-L-prolinebetaine; 4-Hydroxyproline betaine; 4-Hydroxy-stachydrine; 4-Hydroxystachydrine; (-)-Betonicine; betonicine; Achilleine; Achillein; Betonicin; (-)-Betonicine; (2R,4S)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate



数据库引用编号

22 个数据库交叉引用编号

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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。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

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PharmGKB(0)

21 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。

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