Isopentyl acetate (BioDeep_00000009229)

 

Secondary id: BioDeep_00001871686

human metabolite Endogenous


代谢物信息卡片


Acetic acid, 3-methylbutyl ester

化学式: C7H14O2 (130.0994)
中文名称: 乙酸异戊酯
谱图信息: 最多检出来源 Homo sapiens(feces) 41.66%

分子结构信息

SMILES: C(=O)(OCCC(C)C)C
InChI: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3

描述信息

Isopentyl acetate, also known as isoamyl acetate or amylacetic ester, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Isopentyl acetate is an ester formed from isoamyl alcohol and acetic acid. It is a colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents. Isopentyl acetate has a sweet, fruity banana odor and similar sweet, fruity banana taste. Isopentyl acetate is used to confer banana flavor in foods. Isopentyl acetate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Outside of the human body, Isopentyl acetate is found, on average, in the highest concentration within a few different foods, such as red wines, white wines, and beers. Isopentyl acetate has also been detected, but not quantified in, several different foods, such as blackberries (Rubus), figs (Ficus carica), red teas, bananas (Musa acuminata), and black elderberries (Sambucus nigra). This could make isopentyl acetate a potential biomarker for the consumption of these foods. Isopentyl acetate occurs naturally in the banana plant and it is also produced synthetically. Based on a literature review a significant number of articles have been published on Isopentyl acetate. Pure isopentyl acetate, or mixtures of isopentyl acetate, amyl acetate, and other flavors may be referred to as banana oil. Because of its intense, pleasant odor and its low toxicity, isopentyl acetate is used to test the effectiveness of respirators or gas masks. Isopentyl acetate is released by a honey bees sting where it serves as a pheromone beacon to attract other bees and provoke them to sting.
Present in many fruit aromas, especies banana. It is used in banana flavouring

同义名列表

51 个代谢物同义名

Acetic acid, 3-methylbutyl ester; 3-Methyl butyl ester acetic acid; 1-Butanol, 3-methyl-, 1-acetate; 3-Methyl-1-butanol acetic acid; 3-Methyl-but-1-yl acetic acid; beta-Methyl butyl acetic acid; 1-Butanol, 3-methyl-, acetate; Acetic acid de 3-methylbutyle; 3-Methyl-1-butyl acetic acid; Acetate, 3-methylbutyl ester; Acetic acid, isopentyl ester; 3-Methylbutyl ethanoic acid; 3-Methyl-1-butanol, acetate; b-Methyl butyl acetic acid; 3-Methyl-1-butanyl acetate; 3-Methyl-1-butanol acetate; Β-methyl butyl acetic acid; 3-Methylbutyl acetic acid; beta-Methyl butyl acetate; Acetate de 3-methylbutyle; 3-Methyl-but-1-yl acetate; 3-Methyl-1-butyl acetate; Acetate, isopentyl ester; 3-Methylbutyl ethanoate; Isopentyl ethanoic acid; Acetic acid disopentyle; Β-methyl butyl acetate; CH3C(O)O(CH2)2ch(CH3)2; b-Methyl butyl acetate; Acetic acid disoamyle; 3-Methylbutyl acetate; Isopentyl acetic acid; Isoamyl ethanoic acid; Isopentyl ethanoate; Acetate disopentyle; Isoamyl acetic acid; I-amyl acetic acid; Isopentyl acetate; Acetate disoamyle; Isoamyl ethanoate; Isopentylacetate; Amylacetic ester; ISOAMYL ACETATE; I-amyl acetate; Isoamylazetat; Isoamylacetat; Isoamyl ; banana oil; FEMA 2055; Isoamyl acetate; Isoamyl acetate



数据库引用编号

16 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)

13 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 6 ATF2, LDHA, NR0B1, PANK1, PC, SAG
Peripheral membrane protein 2 CRAT, SAG
Nucleus 10 ATF1, ATF2, FOS, LDHA, NR0B1, OMP, PANK1, PLCZ1, SAG, SNRNP27
cytosol 12 ADH7, CRAT, FOS, LDHA, LEP, LIPE, OMP, PANK1, PC, PGK1, PLCZ1, SAG
nucleoplasm 7 ATF1, ATF2, FOS, NR0B1, PLCZ1, SAG, SNRNP27
RNA polymerase II transcription regulator complex 3 ATF1, ATF2, FOS
Cell membrane 1 LIPE
Synapse 2 HCRT, OMP
Golgi apparatus 1 ATRN
mitochondrial inner membrane 1 CRAT
neuronal cell body 1 OMP
postsynapse 1 HCRT
synaptic vesicle 1 HCRT
Cytoplasm, cytosol 1 LIPE
plasma membrane 2 ADH7, ATRN
Membrane 5 LDHA, LIPE, NR0B1, PGK1, SAG
axon 1 OMP
caveola 1 LIPE
extracellular exosome 3 ATRN, LDHA, PGK1
endoplasmic reticulum 2 CRAT, FOS
extracellular space 4 ATRN, LEP, PGK1, PNLIP
perinuclear region of cytoplasm 2 HCRT, PLCZ1
mitochondrion 3 CRAT, LDHA, PC
intracellular membrane-bounded organelle 1 NR0B1
pronucleus 1 PLCZ1
Single-pass type I membrane protein 1 ATRN
Secreted 2 LEP, PNLIP
extracellular region 3 HCRT, LEP, PNLIP
mitochondrial outer membrane 1 ATF2
[Isoform 2]: Secreted 1 ATRN
Mitochondrion matrix 1 PC
mitochondrial matrix 1 PC
centriolar satellite 1 NR0B1
photoreceptor inner segment 1 SAG
photoreceptor outer segment 1 SAG
neuronal dense core vesicle lumen 1 HCRT
cytoplasmic vesicle 1 HCRT
nucleolus 2 PANK1, PLCZ1
recycling endosome 1 PANK1
Cytoplasm, perinuclear region 1 PLCZ1
Mitochondrion inner membrane 1 CRAT
Matrix side 1 CRAT
Membrane raft 1 PGK1
Peroxisome 1 CRAT
peroxisomal matrix 1 CRAT
nuclear speck 1 NR0B1
chromatin 4 ATF1, ATF2, FOS, NR0B1
cell periphery 1 PANK1
Cell projection, cilium, photoreceptor outer segment 1 SAG
[Isoform 1]: Mitochondrion 1 CRAT
Nucleus, nucleolus 1 PANK1
site of double-strand break 1 ATF2
[Isoform 3]: Secreted 1 ATRN
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
[Isoform 2]: Cytoplasm, cytosol 1 PANK1
clathrin-coated vesicle 1 PANK1
nuclear matrix 1 FOS
Cytoplasmic vesicle, clathrin-coated vesicle 1 PANK1
Cul5-RING ubiquitin ligase complex 1 SAG
[Isoform 1]: Nucleus 1 PANK1
protein-DNA complex 1 FOS
[Isoform 1]: Cell membrane 1 ATRN
U4/U6 x U5 tri-snRNP complex 1 SNRNP27
Rough endoplasmic reticulum 1 HCRT
oxidoreductase complex 1 LDHA
ribosome 1 NR0B1
transcription factor AP-1 complex 1 FOS
sperm head 1 PLCZ1
H4 histone acetyltransferase complex 1 ATF2
ATF4-CREB1 transcription factor complex 1 ATF1
ATF1-ATF4 transcription factor complex 1 ATF1
[Isoform 2]: Peroxisome 1 CRAT


文献列表

  • Yaluan Bi, Xuan Zhang, Xuefei Chang, Jiaxin Li, Shan Xiao, Bo Zhang, Cong Dang, Linlin Sun, Hongwei Yao, Qi Fang, Fang Wang, Gongyin Ye. Olfactory behavioral responses of two Drosophila species and their pupal parasitoid to volatiles from bananas. Pest management science. 2023 Jun; ?(?):. doi: 10.1002/ps.7628. [PMID: 37357260]
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  • Ben Souffriau, Sylvester Holt, Arne Hagman, Stijn De Graeve, Philippe Malcorps, Maria R Foulquié-Moreno, Johan M Thevelein. Polygenic Analysis of Tolerance to Carbon Dioxide Inhibition of Isoamyl Acetate "Banana" Flavor Production in Yeast Reveals MDS3 as Major Causative Gene. Applied and environmental microbiology. 2022 09; 88(18):e0081422. doi: 10.1128/aem.00814-22. [PMID: 36073947]
  • Amr Farouk, Mamdouh El-Kalyoubi, Hatem Ali, Magda Abd El Mageed, Mohamed Khallaf, Shimaa Moawad. Effects of Carriers on Spray-dried Flavors and Their Functional Characteristics. Pakistan journal of biological sciences : PJBS. 2020 Jan; 23(3):257-263. doi: 10.3923/pjbs.2020.257.263. [PMID: 31944086]
  • Jaime C Piñero, Bruce A Barrett, Leland Grant Bolton, Peter A Follett. β-cyclocitral synergizes the response of adult Drosophila suzukii (Diptera: Drosophilidae) to fruit juices and isoamyl acetate in a sex-dependent manner. Scientific reports. 2019 07; 9(1):10574. doi: 10.1038/s41598-019-47081-z. [PMID: 31332263]
  • Stéphanie Rollero, Jean-Roch Mouret, Isabelle Sanchez, Carole Camarasa, Anne Ortiz-Julien, Jean-Marie Sablayrolles, Sylvie Dequin. Key role of lipid management in nitrogen and aroma metabolism in an evolved wine yeast strain. Microbial cell factories. 2016 Feb; 15(?):32. doi: 10.1186/s12934-016-0434-6. [PMID: 26861624]
  • Catrin S Günther, Matthew R Goddard, Richard D Newcomb, Claudia C Buser. The Context of Chemical Communication Driving a Mutualism. Journal of chemical ecology. 2015 Oct; 41(10):929-36. doi: 10.1007/s10886-015-0629-z. [PMID: 26392279]
  • Peng-Fei Lu, Ling-Qiao Huang, Chen-Zhu Wang. Identification and field evaluation of pear fruit volatiles attractive to the oriental fruit moth, Cydia molesta. Journal of chemical ecology. 2012 Aug; 38(8):1003-16. doi: 10.1007/s10886-012-0152-4. [PMID: 22730107]
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  • Edwin R Griff, Nancy K Kleene, Steven J Kleene. A selective PMCA inhibitor does not prolong the electroolfactogram in mouse. PloS one. 2012; 7(5):e37148. doi: 10.1371/journal.pone.0037148. [PMID: 22615924]
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