Dimethyl malonate (BioDeep_00000178356)

human metabolite PANOMIX_OTCML-2023 blood metabolite Volatile Flavor Compounds natural product

代谢物信息卡片

1,3-dimethyl propanedioate

化学式: C5H8O4 (132.0422568)
中文名称: 丙二酸二甲酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC(=O)CC(=O)OC
InChI: InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3

描述信息

Dimethyl malonate, also known as dimethyl malonic acid, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Dimethyl malonate is soluble (in water) and a very weakly acidic compound (based on its pKa). Dimethyl malonate is a fruity tasting compound found in pineapple, which makes dimethyl malonate a potential biomarker for the consumption of this food product.
Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1].
Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1].

同义名列表

5 个代谢物同义名

1,3-dimethyl propanedioate; Dimethyl malonic acid; Dimethyl malonate; methyl malonate; Dimethyl malonate

数据库引用编号

9 个数据库交叉引用编号

PubChem: 7943
HMDB: HMDB0251386
ChEMBL: CHEMBL1986332
Wikipedia: Dimethyl malonate
foodb: FDB008118
CAS: 75238-25-4
CAS: 108-59-8
medchemexpress: HY-Y1787
LOTUS: LTS0062122

分类词条

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)

24 个相关的物种来源信息

4614 - Ananas: LTS0062122
4615 - Ananas comosus: 10.1021/JF60168A018
4615 - Ananas comosus: LTS0062122
4210 - Asteraceae: LTS0062122
20400 - Astragalus: LTS0062122
649199 - Astragalus membranaceus: 10.1080/00021369.1987.10868496
649199 - Astragalus membranaceus: LTS0062122
3084394 - Astragalus trimestris: LTS0062122
4613 - Bromeliaceae: LTS0062122
2759 - Eukaryota: LTS0062122
3803 - Fabaceae: LTS0062122
9606 - Homo sapiens: -
405757 - Jacobaea: LTS0062122
189227 - Jacobaea alpina: LTS0062122
4447 - Liliopsida: LTS0062122
3398 - Magnoliopsida: LTS0062122
3931 - Myrtaceae: LTS0062122
119948 - Myrtus: LTS0062122
119949 - Myrtus communis: 10.1016/S0021-9673(01)95036-8
119949 - Myrtus communis: LTS0062122
33090 - Plants: -
35493 - Streptophyta: LTS0062122
58023 - Tracheophyta: LTS0062122
33090 - Viridiplantae: LTS0062122

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

José Luiz Portela, Matheus Chimelo Bianchini, Aline Augusti Boligon, Murilo Ricardo Sigal Carriço, Rafael Roehrs, Félix Alexandre Antunes Soares, Marcelo Gomes de Gomes, Waseem Hassan, Robson Luiz Puntel. Ilex paraguariensis Attenuates Changes in Mortality, Behavioral and Biochemical Parameters Associated to Methyl Malonate or Malonate Exposure in Drosophila melanogaster. Neurochemical research. 2019 Sep; 44(9):2202-2214. doi: 10.1007/s11064-019-02862-w. [PMID: 31422521]
Wei-Liang Chen, Fang Li, Yan Tang, Shu-di Yang, Ji-Zhao Li, Zhi-Qiang Yuan, Yang Liu, Xiao-Feng Zhou, Chun Liu, Xue-Nong Zhang. Stepwise pH-responsive nanoparticles for enhanced cellular uptake and on-demand intracellular release of doxorubicin. International journal of nanomedicine. 2017; 12(?):4241-4256. doi: 10.2147/ijn.s129748. [PMID: 28652730]
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Lianshu Han, Shengnan Wu, Jun Ye, Wenjuan Qiu, Huiwen Zhang, Xiaolan Gao, Yu Wang, Zhuwen Gong, Jing Jin, Xuefan Gu. Biochemical, molecular and outcome analysis of eight chinese asymptomatic individuals with methyl malonic acidemia detected through newborn screening. American journal of medical genetics. Part A. 2015 Oct; 167A(10):2300-5. doi: 10.1002/ajmg.a.37147. [PMID: 25982642]
Vineeta Shobha, Subhash D Tarey, Ramya G Singh, Priya Shetty, Uma S Unni, Krishnamachari Srinivasan, Anura V Kurpad. Vitamin B₁₂ deficiency & levels of metabolites in an apparently normal urban south Indian elderly population. The Indian journal of medical research. 2011 Oct; 134(?):432-9. doi: NULL. [PMID: 22089603]
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