2-Hexanol (BioDeep_00000022115)

   

human metabolite Volatile Flavor Compounds natural product


代谢物信息卡片


Hexan-2-ol

化学式: C6H14O (102.10445940000001)
中文名称: 2-己醇
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCC(C)O
InChI: InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

描述信息

2-Hexanol, also known as hexan-2-ol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 2-Hexanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 2-hexanol is considered to be a fatty alcohol lipid molecule. 2-Hexanol (or hexan-2-ol) is a six carbon alcohol in which the OH group is located on the second carbon atom. Its chemical formula is C6H14O or C6H13OH. 2-Hexanol is a chemical and winey tasting compound. 2-Hexanol is found, on average, in the highest concentration within safflowers. 2-Hexanol has also been detected, but not quantified, in several different foods, such as pepper (c. frutescens), tea, green bell peppers, corns, and orange bell peppers. This could make 2-hexanol a potential biomarker for the consumption of these foods. 2-Hexanol, with regard to humans, has been linked to the inborn metabolic disorder celiac disease. It is an isomer of the other hexanols. 2-Hexanol has a chiral center and can be resolved into enantiomers.
2-hexanol, also known as hexan-2-ol, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). Thus, 2-hexanol is considered to be a fatty alcohol lipid molecule. 2-hexanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-hexanol is a chemical and winey tasting compound and can be found in a number of food items such as safflower, green bell pepper, pepper (c. frutescens), and red bell pepper, which makes 2-hexanol a potential biomarker for the consumption of these food products. 2-hexanol can be found primarily in saliva. 2-hexanol exists in all eukaryotes, ranging from yeast to humans. 2-Hexanol (or hexan-2-ol) is a six carbon alcohol in which the OH group is located on the second carbon atom. Its chemical formula is C6H14O or C6H13OH. It is an isomer of the other hexanols. 2-Hexanol has a chiral center and can be resolved into two different enantiomers .

同义名列表

3 个代谢物同义名

Hexan-2-ol; 2-HEXANOL; 2-Hexanol



数据库引用编号

13 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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34 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

  • Meenu Katoch, Kushal Bindu, Shipra Phull, M K Verma. An endophytic Fusarium sp. isolated from Monarda citriodora produces the industrially important plant-like volatile organic compound hexanal. Microbiology (Reading, England). 2017 06; 163(6):840-847. doi: 10.1099/mic.0.000479. [PMID: 28640741]
  • Sebastian Peter, Matthias Kinne, Xiaoshi Wang, René Ullrich, Gernot Kayser, John T Groves, Martin Hofrichter. Selective hydroxylation of alkanes by an extracellular fungal peroxygenase. The FEBS journal. 2011 Oct; 278(19):3667-75. doi: 10.1111/j.1742-4658.2011.08285.x. [PMID: 21812933]
  • Gang Wang, Qi-Wei He, Tao Feng, Ji-Kai Liu. Two new phenylpropanoids and one propanoate from Morinda citrifolia. Journal of Asian natural products research. 2011 Mar; 13(3):238-41. doi: 10.1080/10286020.2010.551344. [PMID: 21409685]
  • Eun-Hee Lee, Jaisoo Kim, Kyung-Suk Cho, Yun Gyong Ahn, Geum-Sook Hwang. Degradation of hexane and other recalcitrant hydrocarbons by a novel isolate, Rhodococcus sp. EH831. Environmental science and pollution research international. 2010 Jan; 17(1):64-77. doi: 10.1007/s11356-009-0238-x. [PMID: 19756804]
  • Weibin Fan, Ren-Guan Duan, Toshiyuki Yokoi, Peng Wu, Yoshihiro Kubota, Takashi Tatsumi. Synthesis, crystallization mechanism, and catalytic properties of titanium-rich TS-1 free of extraframework titanium species. Journal of the American Chemical Society. 2008 Aug; 130(31):10150-64. doi: 10.1021/ja7100399. [PMID: 18613685]
  • Dana A Liska, Lisa H Akucewich, Rosanna Marsella, Lara K Maxwell, Joanna E Barbara, Cynthia A Cole. Pharmacokinetics of pentoxifylline and its 5-hydroxyhexyl metabolite after oral and intravenous administration of pentoxifylline to healthy adult horses. American journal of veterinary research. 2006 Sep; 67(9):1621-7. doi: 10.2460/ajvr.67.9.1621. [PMID: 16948611]
  • Kenji Gomi, Hiroyuki Yamamato, Kazuya Akimitsu. Epoxide hydrolase: a mRNA induced by the fungal pathogen Alternaria alternata on rough lemon (Citrus jambhiri Lush). Plant molecular biology. 2003 Sep; 53(1-2):189-99. doi: 10.1023/b:plan.0000009287.95682.24. [PMID: 14756316]
  • S Kamiya, H Shirahase, S Nakamura, M Kanda, H Matsui, A Yoshimi, M Kasai, K Takahashi, K Kurahashi. A novel series of thromboxane A2 synthetase inhibitors with free radical scavenging and anti-peroxidative activities. Chemical & pharmaceutical bulletin. 2001 May; 49(5):563-71. doi: 10.1248/cpb.49.563. [PMID: 11383607]
  • P Manini, R Andreoli, A Mutti, E Bergamaschi, I Franchini. Determination of free and glucuronated hexane metabolites without prior hydrolysis by liquid- and gas-chromatography coupled with mass spectrometry. Toxicology letters. 1999 Sep; 108(2-3):225-31. doi: 10.1016/s0378-4274(99)00093-4. [PMID: 10511266]
  • J K Alifimoff, L L Firestone, K W Miller. Anesthetic potencies of secondary alcohol enantiomers. Anesthesiology. 1987 Jan; 66(1):55-9. doi: 10.1097/00000542-198701000-00010. [PMID: 3492157]
  • M Iwata, Y Takeuchi, N Hisanaga, Y Ono. Changes of n-hexane metabolites in urine of rats exposed to various concentrations of n-hexane and to its mixture with toluene or MEK. International archives of occupational and environmental health. 1983; 53(1):1-8. doi: 10.1007/bf00406172. [PMID: 6654498]