Ethyl hexadecanoate (BioDeep_00000017547)

 

Secondary id: BioDeep_00000600657, BioDeep_00000860122

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


InChI=1/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H

化学式: C18H36O2 (284.2715156)
中文名称: 棕榈酸乙酯
谱图信息: 最多检出来源 Homo sapiens(feces) 2.7%

分子结构信息

SMILES: CCCCCCCCCCCCCCCC(=O)OCC
InChI: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3

描述信息

Ehtyl hexadecanoate is the ester formed by the condensation of hexadecanoic acid and ethanol. Ethyl hexadecanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Ethyl hexadecanoate can be found in alcoholic beverages. It is also present in various fruits, e.g. apricot, sour cherry, grapefruit, bilberry, guava fruit, melon, pineapple, Chinese quince, ceriman (Monstera deliciosa) etc. As well as in crispbread, clary sage, blackcurrant buds, wines, rice bran, plum brandy, fruit brandy, Bourbon vanilla, beans and salted/pickled plum.
Ethyl hexadecanoate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol. It has a role as a plant metabolite. It is a hexadecanoate ester and a long-chain fatty acid ethyl ester.
Ethyl palmitate is a natural product found in Cyperus esculentus, Psidium guajava, and other organisms with data available.
Ethyl hexadecanoate is a metabolite found in or produced by Saccharomyces cerevisiae.
Present in various fruits, e.g. apricot, sour cherry, grapefruit, bilberry, guava fruit, melon, pineapple, Chinese quince, ceriman (Monstera deliciosa) etcand is also present in crispbread, clary sage, blackcurrant buds, wines, rice bran, plum brandy, fruit brandy, Bourbon vanilla, beans and salted/pickled plums. Ethyl hexadecanoate is found in many foods, some of which are citrus, guava, cereals and cereal products, and alcoholic beverages.
A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol.
Ethyl palmitate, a fatty acid ethyl ester (FAEE), shows a marked preference for the synthesis of ethyl palmitate and ethyl oleate over other FAEEs in human subjects after ethanol consumption. Ethyl palmitate is used as a hair- and skin-conditioning agent[1].
Ethyl palmitate, a fatty acid ethyl ester (FAEE), shows a marked preference for the synthesis of ethyl palmitate and ethyl oleate over other FAEEs in human subjects after ethanol consumption. Ethyl palmitate is used as a hair- and skin-conditioning agent[1].

同义名列表

39 个代谢物同义名

InChI=1/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H; Ethyl palmitate, United States Pharmacopeia (USP) Reference Standard; Ethyl palmitate, Vetec(TM) reagent grade, 95\\%; Ethyl Palmitate; Hexadecanoic acid ethyl ester; HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2; Ethyl palmitate, natural (US), >=95\\%, FG; Ethyl palmitate, 1mg/ml in Acetonitrile; Ethyl hexadecanoate (ethyl palmitate); Ethyl palmitate, analytical standard; Palmitic acid, ethyl ester (8CI); 3-trifluoromethyl-o-toluanilide; Hexadecanoic acid, ethyl ester; hexadecanoic acid-ethyl ester; Hexadecanoic acid,ethyl ester; hexadecanoic acid ethyl ester; Ethyl palmitate, >=95\\%, FG; Palmitic acid, ethyl ester; Ethyl palmitate (natural); Palmitic acid ethyl ester; ETHYL PALMITATE [USP-RS]; Ethyl palmitate, >=99\\%; Ethyl hexadecanoic acid; ETHYL PALMITATE [INCI]; ETHYL PALMITATE [FHFI]; Palmitate ethyl ester; Ethyl n-hexadecanoate; Ethyl hexadecanoate; Ethyl palmitic acid; Ethyl cetylic acid; Ethyl palmitate; UNII-IRD3M534ZM; Ethylpalmitate; Ethyl cetylate; Tox21_302505; WE(2:0/16:0); IRD3M534ZM; FEMA 2451; AI3-06331; SFE 18:0



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)

41 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

  • A Sagna, Reshma V R Nair, Neha Hulyalkar, S Rajasekharan, Vinodkumar T G Nair, K C Sivakumar, S R Suja, Sabulal Baby, Easwaran Sreekumar. Ethyl palmitate, an anti-chikungunya virus principle from Sauropus androgynus, a medicinal plant used to alleviate fever in ethnomedicine. Journal of ethnopharmacology. 2023 Jun; 309(?):116366. doi: 10.1016/j.jep.2023.116366. [PMID: 36914036]
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  • Débora Sgorla, Anna Lechanteur, Andreia Almeida, Flávia Sousa, Eduardo Melo, Élcio Bunhak, Rubiana Mainardes, Najeh Khalil, Osvaldo Cavalcanti, Bruno Sarmento. Development and characterization of lipid-polymeric nanoparticles for oral insulin delivery. Expert opinion on drug delivery. 2018 03; 15(3):213-222. doi: 10.1080/17425247.2018.1420050. [PMID: 29257904]
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  • Ru-Mei Lu, Min-Min Shao, Peng-Ying Liao, Peng Luo. [Study on the chemical constituents of Viscum ovalifolium]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2013 Sep; 36(9):1451-4. doi: ". [PMID: 24620692]
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  • J Werner, M Laposata, C Fernández-del Castillo, M Saghir, R V Iozzo, K B Lewandrowski, A L Warshaw. Pancreatic injury in rats induced by fatty acid ethyl ester, a nonoxidative metabolite of alcohol. Gastroenterology. 1997 Jul; 113(1):286-94. doi: 10.1016/s0016-5085(97)70106-9. [PMID: 9207289]
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