2-Isopropylmalic acid (BioDeep_00000001213)

 

Secondary id: BioDeep_00000400440, BioDeep_00000629382, BioDeep_00000875065, BioDeep_00001868881

natural product human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite


代谢物信息卡片


(2S)-2-Hydroxy-2-(1-methylethyl)butanedioic acid

化学式: C7H12O5 (176.0684702)
中文名称: 2-异丙基苹果酸, 异丙基苹果酸
谱图信息: 最多检出来源 Homo sapiens(feces) 22.91%

Reviewed

Last reviewed on 2024-08-26.

Cite this Page

2-Isopropylmalic acid. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/2-isopropylmalic_acid (retrieved 2024-12-04) (BioDeep RN: BioDeep_00000001213). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: CC(C)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)

描述信息

2-Isopropylmalic acid (CAS: 3237-44-3), also known as 3-carboxy-3-hydroxyisocaproic acid, belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. 2-Isopropylmalic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-Isopropylmalic acid is an alpha-hydroxy organic acid regularly occurring in the urine of healthy individuals (PMID: 2338430, 544608), and in hemofiltrates (PMID: 7251751). 2-Isopropylmalic acid is elevated during fasting and diabetic ketoacidosis (PMID: 1591279). It is also a metabolite found in Acetobacter (PMID: 6035258).
α-Isopropylmalate (α-IPM) is the leucine biosynthetic precursor in Yeast[1].

α-Isopropylmalate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3237-44-3 (retrieved 2024-08-26) (CAS RN: 3237-44-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

同义名列表

37 个代谢物同义名

(2S)-2-Hydroxy-2-(1-methylethyl)butanedioic acid; (3S)-3-Carboxy-3-hydroxy-4-methylpentanoic acid; (2S)-2-Hydroxy-2-(propan-2-yl)butanedioic acid; (2S)-2-isopropyl-2-hydroxy-butanedioic acid; 2-Hydroxy-2-(1-methylethyl)butanedioic acid; (3S)-3-Carboxy-3-hydroxy-4-methylpentanoate; 3-Carboxy-3-hydroxy-4-methylpentanoic acid; (S)-2-Hydroxy-2-(isopropyl)succinic acid; (3S)-3-Carboxy-3-hydroxyisocaproic acid; (2S)-2-Hydroxy-2-isopropylsuccinic acid; 3-Carboxy-3-hydroxy-4-methylpentanoate; 3-Hydroxy-4-methyl-3-carboxypentanoate; 2-Isopropyl-2-hydroxybutanedioic acid; (S)-2-Hydroxy-2-(isopropyl)succinate; (2S)-2-Hydroxy-2-isopropylsuccinate; (3S)-3-Carboxy-3-hydroxyisocaproate; 3-Carboxy-3-hydroxyisocaproic acid; 2-HYDROXY-2-ISOPROPYLSUCCINIC ACID; 2-Isopropyl-2-hydroxybutanedioate; 2-Hydroxy-2-isopropylsuccinate; 3-Carboxy-3-hydroxyisocaproate; (S)-(+)-2-Isopropylmalic acid; α-Isopropylmalic acid; (2S)-2-Isopropylmalic acid; alpha-Isopropylmalic acid; (S)-2-Isopropylmalic acid; α-Isopropylmalate; (2S)-2-Isopropylmalate; 2-isopropyl-malic acid; Α-isopropylmalic acid; alpha-Isopropylmalate; 2-Isopropylmalic acid; a-Isopropylmalic acid; a-Isopropylmalate; Α-isopropylmalate; 2-Isopropylmalate; α-IPM



数据库引用编号

32 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

9 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(9)

PharmGKB(0)

46 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

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