Hexanal (BioDeep_00000004908)

 

Secondary id: BioDeep_00000019511, BioDeep_00000405600, BioDeep_00000629951, BioDeep_00000859851, BioDeep_00001868245

human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite Toxin natural product


代谢物信息卡片


N-Caproic aldehyde

化学式: C6H12O (100.0888)
中文名称: 4-甲基戊醛, 正己醛, 己醛
谱图信息: 最多检出来源 Homo sapiens(blood) 41.19%

分子结构信息

SMILES: CC(C)CCC=O
InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

描述信息

Hexanal is an alkyl aldehyde found in human biofluids. Human milk samples collected from women contains hexanal. Among mediators of oxidative stress, highly reactive secondary aldehydic lipid peroxidation products can initiate the processes of spontaneous mutagenesis and carcinogenesis and can also act as a growth-regulating factors and signaling molecules. In specimens obtained from adult patients with brain astrocytomas, lower levels of n-hexanal are associated with poorer patient prognosis. Hexanal has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID:22626821). Hexanal is a volatile compound that has been associated with the development of undesirable flavours. The content of hexanal, which is a major breakdown product of linoleic acid (LA, n - 6 PUFA) oxidation, has been used to follow the course of lipid oxidation and off-flavour development in foods, and have been proposed as one potential marker of milk quality. A "cardboard-like" off-flavour is frequently associated with dehydrated milk products. This effect is highly correlated with the headspace concentration of hexanal. (Food Chemistry. Volume 107, Issue 1, 1 March 2008, Pages 558-569, PMID:17934948, 17487452).
Constituent of many foodstuffs. A production of aerobic enzymatic transformations of plant constits. It is used in fruit flavours and in perfumery
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
D010575 - Pesticides > D007306 - Insecticides
D016573 - Agrochemicals

同义名列表

21 个代谢物同义名

N-Caproic aldehyde; n-Capronaldehyde; Caproic aldehyde; 4-methylpentanal; Hexoic aldehyde; N-Caproaldehyde; N-Hexylaldehyde; Capronaldehyde; Hexylaldehyde; Caproaldehyde; Hexanaldehyde; Aldehyde C-6; Hexaldehyde; C6 Aldehyde; Hexan-1-al; N-C5H11CHO; 1-Hexanal; N-Hexanal; HEXANAL; 4-Methylpentanal; Hexanal



数据库引用编号

23 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(9)

BioCyc(1)

PlantCyc(0)

代谢反应

270 个相关的代谢反应过程信息。

Reactome(122)

BioCyc(4)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(110)

COVID-19 Disease Map(0)

PathBank(34)

PharmGKB(0)

378 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 7 ALB, ALDH1A1, APOB, CAT, MYLK, PLA2G12A, TNK1
Peripheral membrane protein 2 HSD17B6, TNK1
Endosome membrane 1 APOB
Endoplasmic reticulum membrane 1 APOB
Nucleus 3 ALB, MECR, NR5A1
cytosol 9 ALB, ALDH1A1, APOB, CAT, GPT, LIPE, MB, MYLK, NR5A1
centrosome 1 ALB
nucleoplasm 2 NR5A1, OLR1
RNA polymerase II transcription regulator complex 1 NR5A1
Cell membrane 3 LIPE, OLR1, TNF
Lipid-anchor 1 OLR1
Cleavage furrow 1 MYLK
lamellipodium 1 MYLK
Cell projection, axon 1 ALDH1A1
Early endosome membrane 1 HSD17B6
Synapse 2 ALDH1A1, MYLK
cell surface 2 TNF, TNFRSF10B
Golgi apparatus 2 ALB, ATRN
neuronal cell body 2 APOB, TNF
smooth endoplasmic reticulum 1 APOB
Cytoplasm, cytosol 2 ALDH1A1, LIPE
plasma membrane 8 APOB, ATRN, MYLK, NPR1, OLR1, TNF, TNFRSF10B, TNK1
Membrane 6 CAT, LIPE, NPR1, OLR1, TNFRSF10B, TNK1
axon 1 ALDH1A1
caveola 1 LIPE
extracellular exosome 7 ALB, ALDH1A1, APOB, ATRN, CAT, GPT, MB
Lumenal side 1 HSD17B6
endoplasmic reticulum 2 ALB, HSD17B6
extracellular space 5 ALB, APOB, ATRN, OBP2A, TNF
lysosomal lumen 1 APOB
mitochondrion 2 CAT, MECR
protein-containing complex 2 ALB, CAT
intracellular membrane-bounded organelle 4 APOB, CAT, HSD17B6, OLR1
Microsome membrane 1 HSD17B6
Single-pass type I membrane protein 1 ATRN
Secreted 5 ALB, APOB, OBP2A, OLR1, PLA2G12A
extracellular region 7 ALB, APOB, CAT, OBP2A, OLR1, PLA2G12A, TNF
[Isoform 2]: Secreted 1 ATRN
mitochondrial matrix 2 CAT, MECR
anchoring junction 1 ALB
external side of plasma membrane 1 TNF
chylomicron 1 APOB
low-density lipoprotein particle 1 APOB
very-low-density lipoprotein particle 1 APOB
actin cytoskeleton 1 MYLK
sarcoplasm 1 MB
Early endosome 1 APOB
recycling endosome 1 TNF
Single-pass type II membrane protein 2 OLR1, TNF
Cell projection, lamellipodium 1 MYLK
Membrane raft 2 OLR1, TNF
focal adhesion 1 CAT
Peroxisome 1 CAT
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
receptor complex 2 NPR1, OLR1
ciliary basal body 1 ALB
chromatin 1 NR5A1
phagocytic cup 1 TNF
centriole 1 ALB
[Isoform 1]: Mitochondrion 1 MECR
spindle pole 1 ALB
blood microparticle 1 ALB
[Isoform 3]: Secreted 1 ATRN
endosome lumen 1 APOB
Lipid droplet 2 APOB, LIPE
Membrane, caveola 1 LIPE
specific granule membrane 1 OLR1
tertiary granule membrane 1 OLR1
stress fiber 1 MYLK
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 1 CAT
endoplasmic reticulum lumen 2 ALB, APOB
platelet alpha granule lumen 1 ALB
endoplasmic reticulum exit site 1 APOB
[Isoform 2]: Cytoplasm 1 MECR
clathrin-coated endocytic vesicle membrane 1 APOB
Cytoplasm, cytoskeleton, stress fiber 1 MYLK
[Isoform 1]: Cell membrane 1 ATRN
endocytic vesicle lumen 1 APOB
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
Cytoplasm, sarcoplasm 1 MB
chylomicron remnant 1 APOB
intermediate-density lipoprotein particle 1 APOB
catalase complex 1 CAT
mature chylomicron 1 APOB
ANPR-A receptor complex 1 NPR1
ciliary transition fiber 1 ALB
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

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  • Xiao-Min Li, Lie-Hua Che, Wen-di Zhang, Qian-Li Huang, Cong Li, Bao-Cai Xu. Insight into the autochthonous bacterial strains as starter cultures for improving the flavor profiles of dry-cured duck: Changes in microbial diversity and metabolic profiles. Food chemistry. 2024 Jun; 443(?):138446. doi: 10.1016/j.foodchem.2024.138446. [PMID: 38281415]
  • Rachel Irankunda, Mads Bjørlie, Betül Yesiltas, Laurence Muhr, Laetitia Canabady-Rochelle, Charlotte Jacobsen. Evaluation of primary and secondary oxidation products in fish oil-in-water emulsions: Effect of metal-complexing peptides and protein hydrolysates. Food chemistry. 2024 May; 439(?):138042. doi: 10.1016/j.foodchem.2023.138042. [PMID: 38100881]
  • Yanqun Xu, Jieqiong Wang, Ziqing Wu, Jing Huang, Zhenbiao Li, Jiayi Xu, Dan Long, Tian Ye, Gennv Wang, Junfeng Yin, Zisheng Luo, Yongquan Xu. The role of glutathione in stabilizing aromatic volatile organic compounds in Rougui Oolong tea: A comprehensive study from content to mechanisms. Food chemistry. 2023 Oct; 437(Pt 1):137802. doi: 10.1016/j.foodchem.2023.137802. [PMID: 37866345]
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  • Djalma Vitorino Costa Filho, Thayse Cavalcante da Rocha, Jéssica Moreira de Carvalho, Leila Moreira de Carvalho, Mércia de Sousa Galvão, Mayka Reghiany Pedrao, Mario Estévez, Marta Suely Madruga. Oxidative stability of white striping chicken breasts: effect of cold storage and heat treatments. Poultry science. 2023 May; 102(8):102826. doi: 10.1016/j.psj.2023.102826. [PMID: 37343347]
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