(-)-Linalyl acetate (BioDeep_00000007645)

Main id: BioDeep_00000019567

 

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


(+-)-3,7-Dimethylocta-1,6-dien-3-yl acetic acid

化学式: C12H20O2 (196.1463)
中文名称: 乙酸芳樟酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C=C[C@](C)(CCC=C(C)C)OC(C)=O
InChI: InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1

描述信息

Linalyl acetate belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. The biosynthesis of monoterpenes is known to occur mainly through the methyl-eritritol-phosphate (MEP) pathway in the plastids. Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of monoterpenes. Linalyl acetate occurs naturally and is found in many flowers and spices. It can be isolated from numerous plants and essential oils, such as clary sage, lavender, lemon, cardamom. It is also one of the principal components of the essential oils of bergamot and lavender. Chemically, it is the acetate ester of linalool, and the two often occur in conjunction. Linalyl acetate is a flavouring ingredient and it tastes similar to how it smells, with a pleasant fruity odor reminiscent of bergamot mint oil. It is found in Eau de Cologne mint. As a volatile terpene, linalyl acetate is also combustible.
Linalyl acetate, also known as (-)-linalyl acetic acid, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, linalyl acetate is considered to be an isoprenoid lipid molecule. Linalyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Linalyl acetate can be found in cornmint and peppermint, which makes linalyl acetate a potential biomarker for the consumption of these food products. Linalyl acetate is a naturally occurring phytochemical found in many flowers and spice plants. It is one of the principal components of the essential oils of bergamot and lavender. Chemically, it is the acetate ester of linalool, and the two often occur in conjunction .
Linalyl acetate is the principal components of many plant essential oils with potentially anti-inflammatory activity[1].
Linalyl acetate is the principal components of many plant essential oils with potentially anti-inflammatory activity[1].

同义名列表

30 个代谢物同义名

(+-)-3,7-Dimethylocta-1,6-dien-3-yl acetic acid; (-)-(R)-3-Acetoxy-3,7-dimethylocta-1,6-diene; (3R)-3,7-dimethylocta-1,6-dien-3-yl acetate; (+-)-3,7-Dimethylocta-1,6-dien-3-yl acetate; 3,7-dimethylocta-1,6-dien-3-yl acetate; 1,5-Dimethyl-1-vinyl-4-hexenyl acetate; 3,7-Dimethyl-1,6-octadien-3-yl acetate; 3-Acetoxy-3,7-dimethyl-1,6-octadiene; Acetic acid linalool ester; (-)-Linalyl acetic acid; (R)-Linalyl acetic acid; Acetate linalool ester; R-(-)-Linalyl acetate; Linalyl acetate, (-)-; (±)-Linaloyl acetate; (+-)-linalyl acetate; Linalyl acetic acid; dl-Linalool acetate; (±)-Linalyl acetate; (-)-Linalyl acetate; Bergamot mint oil; R-Linalyl acetate; l-Linalyl acetate; Linalool acetate; Linaloyl acetate; Linalyl acetate; Bergamiol; Bergamol; Linalyl acetate; Linalyl acetate



数据库引用编号

20 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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BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

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PharmGKB(0)

11 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


文献列表

  • Koji Noge, Nobuhiro Shimizu, Judith X Becerra. (R)-(-)-linalyl acetate and (S)-(-)-germacrene D from the leaves of Mexican Bursera linanoe. Natural product communications. 2010 Mar; 5(3):351-4. doi: . [PMID: 20420305]
  • Olga Larkov, Alon Zaks, Einat Bar, Efraim Lewinsohn, Nativ Dudai, Alfred M Mayer, Uzi Ravid. Enantioselective monoterpene alcohol acetylation in Origanum, Mentha and Salvia species. Phytochemistry. 2008 Oct; 69(14):2565-71. doi: 10.1016/j.phytochem.2008.07.018. [PMID: 18834605]