Butanal (BioDeep_00000003916)

 

Secondary id: BioDeep_00000405573, BioDeep_00000863411, BioDeep_00001867628

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


Aldehyde butyrique

化学式: C4H8O (72.0575118)
中文名称: 正丁醛, 丁醛
谱图信息: 最多检出来源 Viridiplantae(plant) 2.01%

分子结构信息

SMILES: CCCC=O
InChI: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

描述信息

Butanal, also known as butyral or butyl aldehyde, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. It is miscible with most organic solvents. Butanal exists in all living organisms, ranging from bacteria to humans. Upon prolonged exposure to air, butyraldehyde oxidizes to form butyric acid. Butanal is an apple, bready, and chocolate tasting compound. Outside of the human body, Butanal is found, on average, in the highest concentration within cow milk and carrots. Butanal has also been detected, but not quantified in several different foods, such as hard wheats, borages, ostrich ferns, skunk currants, and fennels. This could make butanal a potential biomarker for the consumption of these foods. The dominant technology involves the use of rhodium catalysts derived from the water-soluble ligand Tppts. Butyraldehyde is produced almost exclusively by the hydroformylation of propylene:CH3CHCH2 + H2 + CO → CH3CH2CH2CHO. Traditionally, hydroformylation was catalyzed by cobalt carbonyl and later rhodium complexes of triphenylphosphine. At one time, it was produced industrially by the catalytic hydrogenation of crotonaldehyde, which is derived from acetaldehyde. Butyraldehyde can be produced by the catalytic dehydrogenation of n-butanol. This compound is the aldehyde derivative of butane. An aqueous solution of the rhodium catalyst converts the propylene to the aldehyde, which forms a lighter immiscible phase. About 6 billion kilograms are produced annually by hydroformylation. It is a colourless flammable liquid with an unpleasant smell.
Occurs in essential oils, e.g. lavender, hopand is also present in apple, banana, blackberry, hog plum, wheat bread, malt whiskey, red or white wine, tea, toasted oat flakes and other foodstuffs. Flavouring agent

同义名列表

22 个代谢物同义名

Aldehyde butyrique; Aldeide butirrica; N-Butyl aldehyde; Butyric aldehyde; N-Butylaldehyde; N-Butyraldehyde; Butyrylaldehyde; Butyl aldehyde; butyraldehyde; Butylaldehyde; Butanaldehyde; Butyraldehyd; Butaldehyde; Butan-1-al; N-C3H7CHO; N-Butanal; 1-Butanal; butoxide; Butalyde; Butanal; Butyral; Butal



数据库引用编号

18 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(5)

PlantCyc(1)

代谢反应

225 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(13)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(212)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

23 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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