Isovaleric acid (BioDeep_00000003398)

 

Secondary id: BioDeep_00000405345, BioDeep_00000861645

natural product human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite


代谢物信息卡片


3-Methylbutyric acid: isopropyl-acetic acid

化学式: C5H10O2 (102.068076)
中文名称: 异戊酸, 异戊酸
谱图信息: 最多检出来源 Homo sapiens(blood) 0.12%

分子结构信息

SMILES: CC(C)CC(=O)O
InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

描述信息

Isovaleric acid, is a natural fatty acid found in a wide variety of plants and essential oils. Isovaleric acid is clear colorless liquid that is sparingly soluble in water, but well soluble in most common organic solvents. It has been suggested that isovaleric acid from pilot whales, a species frequently consumed in the Faroe Islands, may be the unusual dietary factor in prolonged gestation in the population of the Faroe Islands. Previous studies suggested that was due to the high intake of n-3 polyunsaturated fatty acids has been, but fatty acid data for eicosapentaenoic acid (EPA) and docosahexanoic acid (DHA) in blood lipids of Faroese and Norwegians was reviewed in terms of the type of fish eaten (mostly lean white fish with DHA much greater than EPA); the popular lean fish, thus, probably provides too little EPA to produce a marked effect on human biochemistry (PMID 2646392). Isovaleric acid is found to be associated with isovaleric acidemia, which is an inborn error of metabolism.
Flavouring agent. Simple esters are used in flavourings. Constituent of hops, cheese etc.; an important component of cheese aroma and flavour
CONFIDENCE standard compound; INTERNAL_ID 152
KEIO_ID I018
Isovaleric acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human.
Isovaleric acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human.

同义名列表

34 个代谢物同义名

3-Methylbutyric acid: isopropyl-acetic acid; 3-Methylbutyric acid: isopropyl-acetate; β-Methylbutyric acid; 3-Methyl-1-butanoic acid; beta-Methylbutyric acid; 3-Methyl-N-butyric acid; 3-methyl-butanoic acid; 3-Methylbutanoic acid; 3-Methyl butyric acid; β-Methylbutyrate; Isopropylacetic acid; 3-Methylbuttersaeure; Β-methylbutyric acid; 3-Methylbutyric acid; b-Methylbutyric acid; beta-Methylbutyrate; Isobutylformic acid; 3-Methyl-N-butyrate; Isovalerianic acid; Isovaleriansaeure; 3-Methylbutanoate; Isopentanoic acid; Β-methylbutyrate; 3-Methylbutyrate; b-Methylbutyrate; Isopropylacetate; ISOVALERIC ACID; Isobutylformate; Isovalerianate; Delphinic acid; Isopentanoate; Isovalerate; Delphinate; FA 5:0



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(2)

BioCyc(0)

PlantCyc(0)

代谢反应

5 个相关的代谢反应过程信息。

Reactome(2)

  • Olfactory Signaling Pathway: GTP + odorant:Olfactory Receptor:GNAL:GDP:GNB1:GNG13 ⟶ GDP + odorant:Olfactory Receptor:GNAL:GTP:GNB1:GNG13
  • Sensory Perception: GTP + odorant:Olfactory Receptor:GNAL:GDP:GNB1:GNG13 ⟶ GDP + odorant:Olfactory Receptor:GNAL:GTP:GNB1:GNG13

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(3)

PharmGKB(0)

113 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

  • Elisa Schuh, Sina Cassau, Ahmed R Ismaieel, Regina Stieber, Jürgen Krieger, Bill S Hansson, Silke Sachse, Sonja Bisch-Knaden. Females smell differently: characteristics and significance of the most common olfactory sensilla of female silkmoths. Proceedings. Biological sciences. 2024 Jan; 291(2015):20232578. doi: 10.1098/rspb.2023.2578. [PMID: 38228178]
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  • Zuren Li, Haodong Bai, Zhendong Bai, Jincai Han, Dingfeng Luo, Lianyang Bai. Multi-omics analysis identifies EcCS4 is negatively regulated in response to phytotoxin isovaleric acid stress in Echinochloa crus-galli. Pest management science. 2023 Dec; ?(?):. doi: 10.1002/ps.7927. [PMID: 38088480]
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  • Sonia Blasioli, Enrico Biondi, Devasena Samudrala, Francesco Spinelli, Antonio Cellini, Assunta Bertaccini, Simona M Cristescu, Ilaria Braschi. Identification of volatile markers in potato brown rot and ring rot by combined GC-MS and PTR-MS techniques: study on in vitro and in vivo samples. Journal of agricultural and food chemistry. 2014 Jan; 62(2):337-47. doi: 10.1021/jf403436t. [PMID: 24313381]
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