2-Decanone (BioDeep_00000024687)

   

human metabolite Endogenous Volatile Flavor Compounds natural product


代谢物信息卡片


Decanedioic acid, monoethyl ester

化学式: C10H20O (156.151407)
中文名称: 2-癸酮
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCCCC(=O)C
InChI: InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3

描述信息

2-Decanone, also known as N-C8H17COCH3 or decan-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-decanone is considered to be an oxygenated hydrocarbon lipid molecule. A methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group. 2-Decanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Decanone is found, on average, in the highest concentration within kohlrabis. This could make 2-decanone a potential biomarker for the consumption of these foods. 2-Decanone, with regard to humans, has been found to be associated with several diseases such as nonalcoholic fatty liver disease, ulcerative colitis, and crohns disease; 2-decanone has also been linked to the inborn metabolic disorder celiac disease.
Constituent of essential oil of rue (Ruta graveolens). 2-Decanone is found in herbs and spices and corn.

同义名列表

8 个代谢物同义名

Decanedioic acid, monoethyl ester; Methyl N-octyl ketone; Octyl methyl ketone; Methyl octyl ketone; N-C8H17COCH3; Decan-2-one; 2-Decanone; 2-Decanone



数据库引用编号

11 个数据库交叉引用编号

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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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71 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。

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文献列表

  • Teresa Weise, Marco Kai, Anja Gummesson, Armin Troeger, Stephan von Reuß, Silvia Piepenborn, Francine Kosterka, Martin Sklorz, Ralf Zimmermann, Wittko Francke, Birgit Piechulla. Volatile organic compounds produced by the phytopathogenic bacterium Xanthomonas campestris pv. vesicatoria 85-10. Beilstein journal of organic chemistry. 2012; 8(?):579-96. doi: 10.3762/bjoc.8.65. [PMID: 22563356]
  • Nikoletta G Ntalli, Francesca Manconi, Marco Leonti, Andrea Maxia, Pierluigi Caboni. Aliphatic ketones from Ruta chalepensis (Rutaceae) induce paralysis on root knot nematodes. Journal of agricultural and food chemistry. 2011 Jul; 59(13):7098-103. doi: 10.1021/jf2013474. [PMID: 21631118]
  • Zhenqiang Zhao, Zhibin Chen, Xiubo Zhao, Fang Pan, Meihua Cai, Tan Wang, Henggui Zhang, Jian R Lu, Ming Lei. Sphingosine-1-phosphate promotes the differentiation of human umbilical cord mesenchymal stem cells into cardiomyocytes under the designated culturing conditions. Journal of biomedical science. 2011 Jun; 18(?):37. doi: 10.1186/1423-0127-18-37. [PMID: 21645412]
  • Martin Talavera-Bianchi, Koushik Adhikari, Edgar Chambers, Edward E Carey, Delores H Chambers. Relation between developmental stage, sensory properties, and volatile content of organically and conventionally grown pac choi (Brassica rapa var. Mei Qing Choi). Journal of food science. 2010 May; 75(4):S173-81. doi: 10.1111/j.1750-3841.2010.01585.x. [PMID: 20546419]
  • Jan Trnka, Frances H Blaikie, Angela Logan, Robin A J Smith, Michael P Murphy. Antioxidant properties of MitoTEMPOL and its hydroxylamine. Free radical research. 2009 Jan; 43(1):4-12. doi: 10.1080/10715760802582183. [PMID: 19058062]
  • Andrew J Letcher, Michael J Schell, Robin F Irvine. Do mammals make all their own inositol hexakisphosphate?. The Biochemical journal. 2008 Dec; 416(2):263-70. doi: 10.1042/bj20081417. [PMID: 18684107]
  • Zhengyu Ma, Kim A Sharp, Paul A Janmey, Terri H Finkel. Surface-anchored monomeric agonist pMHCs alone trigger TCR with high sensitivity. PLoS biology. 2008 Feb; 6(2):e43. doi: 10.1371/journal.pbio.0060043. [PMID: 18303949]
  • H R el-Seedi, L Bohlin, F Ghia, K B Torssell. Ecologically active 2-octanoylcyclohexane-1,3-dione from Philodendron guttiferum. Journal of chemical ecology. 2001 Mar; 27(3):517-21. doi: 10.1023/a:1010349224578. [PMID: 11441442]