2-Heptanone (BioDeep_00000004219)

 

Secondary id: BioDeep_00000405577, BioDeep_00000859883

human metabolite Endogenous BioNovoGene_Lab2019 natural product


代谢物信息卡片


N-Pentyl methyl ketone

化学式: C7H14O (114.1045)
中文名称: 2-庚酮
谱图信息: 最多检出来源 Homo sapiens(feces) 7.62%

分子结构信息

SMILES: CCCCCC(=O)C
InChI: InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

描述信息

2-Heptanone, also known as butylacetone or heptan-2-one, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, 2-heptanone is considered to be an oxygenated hydrocarbon lipid molecule. 2-Heptanone is a ketone with the molecular formula C7H14O. 2-Heptanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Heptanone exists in all living species, ranging from bacteria to humans. 2-Heptanone is a sweet, cinnamon, and coconut tasting compound. 2-Heptanone is found, on average, in the highest concentration within a few different foods, such as corns, cow milk, and peppermints. 2-Heptanone has also been detected, but not quantified in several different foods, such as tarragons, blackberries, tortilla chips, ceylon cinnamons, and evergreen blackberries. 2-Heptanone is one of the metabolites of n-heptane found in the urine of employees exposed to heptane in shoe and tire factories. 2-Heptanone, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis, nonalcoholic fatty liver disease, crohns disease, and hepatic encephalopathy; 2-heptanone has also been linked to the inborn metabolic disorder celiac disease. It is a colorless to white liquid with a banana-like, fruity odor.
Present in apple, morello cherry, feijoa fruit, grapes, quince, clove bud, cheeses, wines, black tea, raw shrimp, Ceylon cinnamon, rancid coconut oil and other foodstuffsand is also a minor constituent of plant oils. Flavour ingredient

同义名列表

17 个代谢物同义名

N-Pentyl methyl ketone; Methyl N-pentyl ketone; Methyl-n-pentyl ketone; Pentyl methyl ketone; Methyl-N-amyl ketone; Methyl N-amyl ketone; N-Amyl methyl ketone; Methyl pentyl ketone; Amyl methyl ketone; Methyl amyl ketone; 1-Methylhexanal; Butylacetone; Heptan-2-one; 2-Oxoheptane; 2-HEPTANONE; 2-Heptanone; 2-Heptanone



数据库引用编号

21 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

0 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(0)

PharmGKB(0)

129 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 9 ALOX5, AXIN2, CAT, CLPB, HPGDS, ITPR3, MYLK, PTGS1, PTGS2
Peripheral membrane protein 4 ALOX5, CYP1B1, PTGS1, PTGS2
Endosome membrane 1 INSR
Endoplasmic reticulum membrane 4 CYP1B1, ITPR3, PTGS1, PTGS2
Nucleus 5 ACR, AXIN2, OGG1, PLCZ1, TDG
cytosol 8 ALOX5, AXIN2, CAT, HPGDS, LIPE, MYLK, OGG1, PLCZ1
centrosome 1 AXIN2
nucleoplasm 6 ALOX5, HPGDS, ITPR3, OGG1, PLCZ1, TDG
Cell membrane 3 GPRC5A, INSR, LIPE
Cleavage furrow 1 MYLK
lamellipodium 1 MYLK
Multi-pass membrane protein 3 CACNA1I, GPRC5A, ITPR3
Synapse 1 MYLK
cell surface 1 TNR
glutamatergic synapse 1 TNR
Golgi apparatus 2 ATRN, PTGS1
neuronal cell body 1 ITPR3
Cytoplasm, cytosol 2 ALOX5, LIPE
Lysosome 1 INSR
plasma membrane 8 ATRN, AXIN2, CACNA1I, GPRC5A, INSR, ITPR3, MYLK, TDG
Membrane 6 CACNA1I, CAT, CYP1B1, INSR, ITPR3, LIPE
axon 1 INSR
brush border 1 ITPR3
caveola 3 INSR, LIPE, PTGS2
extracellular exosome 5 ATRN, CAT, GPRC5A, INSR, PTGS1
endoplasmic reticulum 2 ITPR3, PTGS2
extracellular space 3 ALOX5, ATRN, TNR
perinuclear region of cytoplasm 2 ALOX5, PLCZ1
Schaffer collateral - CA1 synapse 1 TNR
mitochondrion 4 CAT, CLPB, CYP1B1, OGG1
protein-containing complex 4 ACR, CAT, OGG1, PTGS2
intracellular membrane-bounded organelle 5 CAT, CYP1B1, GPRC5A, HPGDS, PTGS1
Microsome membrane 3 CYP1B1, PTGS1, PTGS2
pronucleus 1 PLCZ1
Single-pass type I membrane protein 2 ATRN, INSR
extracellular region 4 ACR, ALOX5, CAT, TNR
neuronal cell body membrane 1 INSR
[Isoform 2]: Secreted 1 ATRN
mitochondrial matrix 2 CAT, OGG1
photoreceptor outer segment 1 PTGS1
Nucleus membrane 1 ALOX5
nuclear membrane 1 ALOX5
external side of plasma membrane 1 INSR
Secreted, extracellular space, extracellular matrix 1 TNR
actin cytoskeleton 1 MYLK
beta-catenin destruction complex 1 AXIN2
nucleolus 3 GPRC5A, ITPR3, PLCZ1
apical part of cell 1 ITPR3
Golgi-associated vesicle 1 ACR
vesicle 1 GPRC5A
Cell projection, lamellipodium 1 MYLK
Cytoplasm, perinuclear region 2 ALOX5, PLCZ1
Membrane raft 1 TNR
focal adhesion 1 CAT
Peroxisome 1 CAT
sarcoplasmic reticulum 1 ITPR3
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
PML body 1 TDG
Mitochondrion intermembrane space 1 CLPB
mitochondrial intermembrane space 1 CLPB
collagen-containing extracellular matrix 1 TNR
nuclear speck 1 OGG1
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 2 ITPR3, PTGS2
Late endosome 1 INSR
receptor complex 3 GPRC5A, INSR, ITPR3
neuron projection 2 PTGS1, PTGS2
[Isoform 3]: Secreted 1 ATRN
nuclear envelope 1 ALOX5
Nucleus envelope 1 ALOX5
Endomembrane system 1 PTGS1
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
Cytoplasmic vesicle membrane 1 GPRC5A
Nucleus, nucleoplasm 1 OGG1
Nucleus speckle 1 OGG1
stress fiber 1 MYLK
ficolin-1-rich granule lumen 2 ALOX5, CAT
secretory granule lumen 2 ALOX5, CAT
secretory granule membrane 1 ITPR3
endoplasmic reticulum lumen 1 PTGS2
nuclear matrix 2 ALOX5, OGG1
voltage-gated calcium channel complex 1 CACNA1I
perineuronal net 1 TNR
Nucleus matrix 2 ALOX5, OGG1
nuclear envelope lumen 1 ALOX5
Cytoplasm, cytoskeleton, stress fiber 1 MYLK
platelet dense tubular network membrane 1 ITPR3
[Isoform 1]: Cell membrane 1 ATRN
dendrite membrane 1 INSR
Cytoplasmic vesicle, secretory vesicle membrane 1 ITPR3
transport vesicle membrane 1 ITPR3
catalase complex 1 CAT
sperm head 1 PLCZ1
insulin receptor complex 1 INSR
acrosomal matrix 1 ACR
Nucleus intermembrane space 1 ALOX5
cytoplasmic side of endoplasmic reticulum membrane 1 ITPR3
tenascin complex 1 TNR


文献列表

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