Butanal (BioDeep_00000003916)

 

Secondary id: BioDeep_00000405573, BioDeep_00000863411, BioDeep_00001867628

human metabolite PANOMIX_OTCML-2023 Endogenous BioNovoGene_Lab2019


代谢物信息卡片


Aldehyde butyrique

化学式: C4H8O (72.0575)
中文名称: 正丁醛, 丁醛
谱图信息: 最多检出来源 Viridiplantae(plant) 5.54%

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

24 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; Butanal; Butyraldehyde



数据库引用编号

20 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)

12 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。

亚细胞结构定位 关联基因列表
Cytoplasm 10 ADH5, CAT, CBR1, CBR3, CPOX, CTNNB1, PYGB, SDCBP2, SSX2IP, THNSL1
Peripheral membrane protein 3 AOC1, CYP1B1, HSD17B6
Endoplasmic reticulum membrane 1 CYP1B1
Nucleus 2 CTNNB1, SSX2IP
cytosol 8 ADH5, AKR1A1, CAT, CBR1, CBR3, CPOX, CTNNB1, SDCBP2
centrosome 1 CTNNB1
nucleoplasm 3 CBR3, CTNNB1, SDCBP2
Cell membrane 3 AOC1, CTNNB1, SDCBP2
lamellipodium 1 CTNNB1
Early endosome membrane 1 HSD17B6
Synapse 2 AKR1A1, CTNNB1
cell cortex 1 CTNNB1
cell junction 1 CTNNB1
glutamatergic synapse 1 CTNNB1
Golgi apparatus 1 SDCBP2
lysosomal membrane 1 EGF
mitochondrial inner membrane 1 BDH1
presynaptic membrane 1 CTNNB1
Cytoplasm, cytosol 1 AKR1A1
plasma membrane 4 AOC1, CTNNB1, EGF, SDCBP2
Membrane 8 BDH1, CAT, CPOX, CTNNB1, CYP1B1, EGF, PYGB, TMEM131
apical plasma membrane 1 AKR1A1
basolateral plasma membrane 1 CTNNB1
extracellular exosome 10 ADH5, AKR1A1, AOC1, CAT, CBR1, CTNNB1, EGF, LYZ, PYGB, SDCBP2
Lumenal side 1 HSD17B6
endoplasmic reticulum 1 HSD17B6
extracellular space 7 AKR1A1, AOC1, CBR3, CXCL8, EGF, LOX, LYZ
perinuclear region of cytoplasm 1 CTNNB1
Schaffer collateral - CA1 synapse 1 CTNNB1
adherens junction 2 CTNNB1, SSX2IP
apicolateral plasma membrane 1 CTNNB1
bicellular tight junction 2 AOC1, CTNNB1
mitochondrion 6 ADH5, BDH1, CAT, CPOX, CYP1B1, THNSL1
protein-containing complex 3 CAT, CTNNB1, SSX2IP
intracellular membrane-bounded organelle 4 BDH1, CAT, CYP1B1, HSD17B6
Microsome membrane 2 CYP1B1, HSD17B6
Single-pass type I membrane protein 1 TMEM131
Secreted 2 CXCL8, LOX
extracellular region 7 AOC1, CAT, CXCL8, EGF, LOX, LYZ, PYGB
Mitochondrion matrix 1 BDH1
mitochondrial matrix 2 BDH1, CAT
Extracellular side 1 AOC1
transcription regulator complex 1 CTNNB1
centriolar satellite 1 SSX2IP
Extracellular vesicle 1 CBR1
Z disc 1 CTNNB1
beta-catenin destruction complex 1 CTNNB1
nucleolus 1 SDCBP2
Wnt signalosome 1 CTNNB1
apical part of cell 1 CTNNB1
cell-cell junction 1 CTNNB1
postsynaptic membrane 1 CTNNB1
Apical cell membrane 1 AKR1A1
Mitochondrion inner membrane 1 BDH1
Cytoplasm, cytoskeleton 1 CTNNB1
focal adhesion 2 CAT, CTNNB1
Cell junction, adherens junction 2 CTNNB1, SSX2IP
flotillin complex 1 CTNNB1
extracellular matrix 1 LOX
Peroxisome 2 AOC1, CAT
collagen trimer 1 LOX
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
mitochondrial intermembrane space 1 CPOX
collagen-containing extracellular matrix 1 LOX
fascia adherens 1 CTNNB1
lateral plasma membrane 1 CTNNB1
nuclear speck 1 SDCBP2
ciliary basal body 1 SSX2IP
cell leading edge 1 SSX2IP
cell periphery 1 CTNNB1
Cytoplasm, cytoskeleton, cilium basal body 2 CTNNB1, SSX2IP
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome, centriolar satellite 1 SSX2IP
Secreted, extracellular space 2 AOC1, LOX
Nucleus, nucleolus 1 SDCBP2
spindle pole 1 CTNNB1
postsynaptic density, intracellular component 1 CTNNB1
microvillus membrane 1 CTNNB1
Endomembrane system 1 CTNNB1
Nucleus, nucleoplasm 1 SDCBP2
Nucleus speckle 1 SDCBP2
euchromatin 1 CTNNB1
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 1 CAT
platelet alpha granule lumen 1 EGF
specific granule lumen 2 AOC1, LYZ
tertiary granule lumen 1 LYZ
beta-catenin-TCF complex 1 CTNNB1
azurophil granule lumen 2 LYZ, PYGB
presynaptic active zone cytoplasmic component 1 CTNNB1
clathrin-coated endocytic vesicle membrane 1 EGF
protein-DNA complex 1 CTNNB1
catenin complex 1 CTNNB1
catalase complex 1 CAT
beta-catenin-TCF7L2 complex 1 CTNNB1
beta-catenin-ICAT complex 1 CTNNB1
Scrib-APC-beta-catenin complex 1 CTNNB1
matrix side of mitochondrial inner membrane 1 BDH1


文献列表

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