2-Octanone (BioDeep_00000019406)

   

human metabolite Endogenous


代谢物信息卡片


N-Hexyl methyl ketone

化学式: C8H16O (128.1201086)
中文名称: 2-辛酮
谱图信息: 最多检出来源 Bos taurus(feces) 9.09%

分子结构信息

SMILES: CCCCCCC(=O)C
InChI: InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3

描述信息

2-Octanone, also known as octan-2-one or fema 2802, 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-octanone is considered to be an oxygenated hydrocarbon lipid molecule. 2-Octanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Octanone is a bitter, earthy, and gasoline tasting compound. 2-Octanone has been detected, but not quantified, in several different foods, such as tortilla chips, cloves, tea, corns, and pomes. This could make 2-octanone a potential biomarker for the consumption of these foods. A methyl ketone that is octane substituted by an oxo group at position 2.
Trace constituent of plant oilsand is also present in apple, apricot, banana, papaya, wheat bread, other breads, cheddar cheese, Swiss cheese, coffee, black tea, roasted filbert, plum brandy and cooked shrimp. Flavouring ingredient. 2-Octanone is found in many foods, some of which are carrot, crustaceans, alcoholic beverages, and pomes.

同义名列表

5 个代谢物同义名

N-Hexyl methyl ketone; Hexyl methyl ketone; Octan-2-one; 2-Octanone; FEMA 2802



数据库引用编号

9 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。



文献列表

  • Maja Veršić Bratinčević, Ana Bego, Ivana Nižetić Kosović, Maja Jukić Špika, Filipa Burul, Marijana Popović, Tonka Ninčević Runjić, Elda Vitanović. A Lifetime of a Dispenser-Release Rates of Olive Fruit Fly-Associated Yeast Volatile Compounds and Their Influence on Olive Fruit Fly (Bactrocera oleae Rossi) Attraction. Molecules (Basel, Switzerland). 2023 Mar; 28(6):. doi: 10.3390/molecules28062431. [PMID: 36985404]
  • Kun Wang, Susan D Arntfield. Probing the molecular forces involved in binding of selected volatile flavour compounds to salt-extracted pea proteins. Food chemistry. 2016 Nov; 211(?):235-42. doi: 10.1016/j.foodchem.2016.05.062. [PMID: 27283627]
  • Thaise Mariá Tobal, Roberto da Silva, Eleni Gomes, Helena Maria André Bolini, Mauricio Boscolo. Evaluation of the use of Syzygium cumini fruit extract as an antioxidant additive in orange juice and its sensorial impact. International journal of food sciences and nutrition. 2012 May; 63(3):273-7. doi: 10.3109/09637486.2011.621412. [PMID: 21981004]
  • Virginia Celia Resconi, Ana Escudero, José Antonio Beltrán, José Luis Olleta, Carlos Sañudo, María del Mar Campo. Color, lipid oxidation, sensory quality, and aroma compounds of beef steaks displayed under different levels of oxygen in a modified atmosphere package. Journal of food science. 2012 Jan; 77(1):S10-8. doi: 10.1111/j.1750-3841.2011.02506.x. [PMID: 22182210]
  • Rahele Ghanbari, Farooq Anwar, Khalid M Alkharfy, Anwarul-Hassan Gilani, Nazamid Saari. Valuable nutrients and functional bioactives in different parts of olive (Olea europaea L.)-a review. International journal of molecular sciences. 2012; 13(3):3291-3340. doi: 10.3390/ijms13033291. [PMID: 22489153]
  • Mikael A Carlsson, Sonja Bisch-Knaden, Alexander Schäpers, Raimondas Mozuraitis, Bill S Hansson, Niklas Janz. Odour maps in the brain of butterflies with divergent host-plant preferences. PloS one. 2011; 6(8):e24025. doi: 10.1371/journal.pone.0024025. [PMID: 21901154]
  • Arati A Inamdar, Prakash Masurekar, Joan Wennstrom Bennett. Neurotoxicity of fungal volatile organic compounds in Drosophila melanogaster. Toxicological sciences : an official journal of the Society of Toxicology. 2010 Oct; 117(2):418-26. doi: 10.1093/toxsci/kfq222. [PMID: 20643751]
  • Johan Högberg, Annika Hanberg, Marika Berglund, Staffan Skerfving, Mikael Remberger, Antonia M Calafat, Agneta Falk Filipsson, Bo Jansson, Niklas Johansson, Malin Appelgren, Helen Håkansson. Phthalate diesters and their metabolites in human breast milk, blood or serum, and urine as biomarkers of exposure in vulnerable populations. Environmental health perspectives. 2008 Mar; 116(3):334-9. doi: 10.1289/ehp.10788. [PMID: 18335100]
  • Mireille Vega, Salwa Karboune, Selim Kermasha. Stability of immobilized soybean lipoxygenase in selected organic solvent media. Applied biochemistry and biotechnology. 2005 Oct; 127(1):29-42. doi: 10.1385/abab:127:1:029. [PMID: 16186621]
  • Marie-Noëlle Leclercq-Perlat, Eric Latrille, Georges Corrieu, Henry-Eric Spinnler. Controlled production of Camembert-type cheeses. Part II. Changes in the concentration of the more volatile compounds. The Journal of dairy research. 2004 Aug; 71(3):355-66. doi: 10.1017/s0022029904000202. [PMID: 15354583]
  • Saskia M van Ruth, Carmel King, Persephoni Giannouli. Influence of lipid fraction, emulsifier fraction, and mean particle diameter of oil-in-water emulsions on the release of 20 aroma compounds. Journal of agricultural and food chemistry. 2002 Apr; 50(8):2365-71. doi: 10.1021/jf011072s. [PMID: 11929298]
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