AI3-01977 (BioDeep_00000862332)

   


代谢物信息卡片


4-02-00-00987 (Beilstein Handbook Reference)

化学式: C10H20O2 (172.14632200000003)
中文名称: 辛酸乙酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCCC(=O)OCC
InChI: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3

描述信息

同义名列表

24 个代谢物同义名

4-02-00-00987 (Beilstein Handbook Reference); Octanoic acid, ethyl ester; octanoic acid ethyl ester; Caprylic acid ethyl ester; Ethyl octanoate (natural); Caprylic acid ethylester; Ethyl N-octanoate; EINECS 203-385-5; W244910_ALDRICH; W244902_ALDRICH; Ethyl caprylate; ETHYL OCTANOATE; Ethyl octylate; 112321_ALDRICH; FEMA No. 2449; Ethyl octoate; BRN 1754470; 21670_FLUKA; AI3-01977; WLN: 7VO2; 106-32-1; NSC 8898; NSC8898; C12292



数据库引用编号

4 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)

45 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

  • Yuhang Deng, Huan Kan, Yonghe Li, Yun Liu, Xu Qiu. Analysis of Volatile Components in Rosa roxburghii Tratt. and Rosa sterilis Using Headspace-Solid-Phase Microextraction-Gas Chromatography-Mass Spectrometry. Molecules (Basel, Switzerland). 2023 Nov; 28(23):. doi: 10.3390/molecules28237879. [PMID: 38067608]
  • Zuobing Xiao, Jing Luo, Yunwei Niu, Pinpin Wang, Ruolin Wang, Xiaoxin Sun. Olfactory impact of esters on rose essential oil floral alcohol aroma expression in model solution. Food research international (Ottawa, Ont.). 2019 02; 116(?):211-222. doi: 10.1016/j.foodres.2018.08.015. [PMID: 30716939]
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  • Jun-Jie Hou, Jian Guo, Jin-Mei Wang, Xiao-Quan Yang. Effect of interfacial composition and crumbliness on aroma release in soy protein/sugar beet pectin mixed emulsion gels. Journal of the science of food and agriculture. 2016 Oct; 96(13):4449-56. doi: 10.1002/jsfa.7656. [PMID: 26841309]
  • Katarzyna Socała, Dorota Nieoczym, Elżbieta Wyska, Ewa Poleszak, Piotr Wlaź. Sildenafil, a phosphodiesterase type 5 inhibitor, enhances the antidepressant activity of amitriptyline but not desipramine, in the forced swim test in mice. Journal of neural transmission (Vienna, Austria : 1996). 2012 Jun; 119(6):645-52. doi: 10.1007/s00702-011-0756-9. [PMID: 22215207]
  • Andre F Cruz, Chantal Hamel, Chao Yang, Tomoko Matsubara, Yantai Gan, Asheesh K Singh, Kousaku Kuwada, Takaaki Ishii. Phytochemicals to suppress Fusarium head blight in wheat-chickpea rotation. Phytochemistry. 2012 Jun; 78(?):72-80. doi: 10.1016/j.phytochem.2012.03.003. [PMID: 22520499]
  • Moises Alejandro Vazquez-Cruz, Sandra Neli Jimenez-Garcia, Irineo Torres-Pacheco, Salvador Horacio Guzman-Maldonado, Ramon Gerardo Guevara-Gonzalez, Rita Miranda-Lopez. Effect of maturity stage and storage on flavor compounds and sensory description of berrycactus (Myrtillocactus geometrizans). Journal of food science. 2012 Apr; 77(4):C366-73. doi: 10.1111/j.1750-3841.2012.02621.x. [PMID: 22429085]
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  • I El-Sharkawy, W El Kayal, D Prasath, H Fernández, M Bouzayen, A M Svircev, S Jayasankar. Identification and genetic characterization of a gibberellin 2-oxidase gene that controls tree stature and reproductive growth in plum. Journal of experimental botany. 2012 Feb; 63(3):1225-39. doi: 10.1093/jxb/err345. [PMID: 22080981]
  • Patrizia Porcu, Todd K O'Buckley, Soomin C Song, Jo Lynne Harenza, Lu Lu, Xusheng Wang, Robert W Williams, Michael F Miles, A Leslie Morrow. Genetic analysis of the neurosteroid deoxycorticosterone and its relation to alcohol phenotypes: identification of QTLs and downstream gene regulation. PloS one. 2011 Apr; 6(4):e18405. doi: 10.1371/journal.pone.0018405. [PMID: 21494628]
  • S Cox, J Yarbrough. Determination of firocoxib in equine plasma using high performance liquid chromatography. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2011 Jan; 879(2):205-8. doi: 10.1016/j.jchromb.2010.11.026. [PMID: 21185237]
  • Abier Sofrata, Ellen M Santangelo, Muhammad Azeem, Anna-Karin Borg-Karlson, Anders Gustafsson, Katrin Pütsep. Benzyl isothiocyanate, a major component from the roots of Salvadora persica is highly active against Gram-negative bacteria. PloS one. 2011; 6(8):e23045. doi: 10.1371/journal.pone.0023045. [PMID: 21829688]
  • Anahita Khoramnia, Afshin Ebrahimpour, Boon Kee Beh, Oi Ming Lai. Production of a solvent, detergent, and thermotolerant lipase by a newly isolated Acinetobacter sp. in submerged and solid-state fermentations. Journal of biomedicine & biotechnology. 2011; 2011(?):702179. doi: 10.1155/2011/702179. [PMID: 21960739]
  • Asitha T Silva, Alien Nguyen, Changming Ye, Jeanmarie Verchot, Joong Ho Moon. Conjugated polymer nanoparticles for effective siRNA delivery to tobacco BY-2 protoplasts. BMC plant biology. 2010 Dec; 10(?):291. doi: 10.1186/1471-2229-10-291. [PMID: 21192827]
  • Verónica Fernández-González, Estefanía Concha-Graña, Soledad Muniategui-Lorenzo, Purificación López-Mahía, Esther Fernández-Fernández, Dario Prada-Rodríguez. A matrix solid-phase dispersion-gel permeation chromatography-programmed temperature vaporisation-GC-MS procedure for the analysis of polycyclic aromatic hydrocarbons in mussel samples. Journal of separation science. 2010 Dec; 33(23-24):3741-50. doi: 10.1002/jssc.201000356. [PMID: 20981880]
  • Adrienne C Müller, Isadore Kanfer. An efficient HPLC method for the quantitative determination of atazanavir in human plasma suitable for bioequivalence and pharmacokinetic studies in healthy human subjects. Journal of pharmaceutical and biomedical analysis. 2010 Sep; 53(1):113-8. doi: 10.1016/j.jpba.2010.03.019. [PMID: 20395105]
  • Rieko Yachi, Osamu Igarashi, Chikako Kiyose. Protective Effects of Vitamin E Analogs against Carbon Tetrachloride-Induced Fatty Liver in Rats. Journal of clinical biochemistry and nutrition. 2010 Sep; 47(2):148-54. doi: 10.3164/jcbn.10-35. [PMID: 20838570]
  • Ya-Wen He, Ji'en Wu, Jae-Soon Cha, Lian-Hui Zhang. Rice bacterial blight pathogen Xanthomonas oryzae pv. oryzae produces multiple DSF-family signals in regulation of virulence factor production. BMC microbiology. 2010 Jul; 10(?):187. doi: 10.1186/1471-2180-10-187. [PMID: 20615263]
  • Amy E Trunkfield, Sudagar S Gurcha, Gurdyal S Besra, Timothy D H Bugg. Inhibition of Escherichia coli glycosyltransferase MurG and Mycobacterium tuberculosis Gal transferase by uridine-linked transition state mimics. Bioorganic & medicinal chemistry. 2010 Apr; 18(7):2651-63. doi: 10.1016/j.bmc.2010.02.026. [PMID: 20226679]
  • Jorge Toledo, Edi A Malo, Leopoldo Cruz-López, Julio C Rojas. Field evaluation of potential fruit-derived lures for Anastrepha obliqua (Diptera: Tephritidae). Journal of economic entomology. 2009 Dec; 102(6):2072-7. doi: 10.1603/029.102.0608. [PMID: 20069833]
  • Roman R Romero-González, Robert Verpoorte. Salting-out gradients in centrifugal partition chromatography for the isolation of chlorogenic acids from green coffee beans. Journal of chromatography. A. 2009 May; 1216(19):4245-51. doi: 10.1016/j.chroma.2009.02.007. [PMID: 19233365]
  • Michel Wagner, Emmanuel Varesio, Gérard Hopfgartner. Ultra-fast quantitation of saquinavir in human plasma by matrix-assisted laser desorption/ionization and selected reaction monitoring mode detection. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2008 Sep; 872(1-2):68-76. doi: 10.1016/j.jchromb.2008.07.009. [PMID: 18657486]
  • Xuebo Liu, Takahiro Shibata, Shinsuke Hisaka, Yoshichika Kawai, Toshihiko Osawa. DHA Hydroperoxides as a Potential Inducer of Neuronal Cell Death: a Mitochondrial Dysfunction-Mediated Pathway. Journal of clinical biochemistry and nutrition. 2008 Jul; 43(1):26-33. doi: 10.3164/jcbn.2008040. [PMID: 18648656]
  • Supratim Ghosh, Devin G Peterson, John N Coupland. Effects of droplet crystallization and melting on the aroma release properties of a model oil-in-water emulsion. Journal of agricultural and food chemistry. 2006 Mar; 54(5):1829-37. doi: 10.1021/jf052262w. [PMID: 16506840]
  • E Dailly, V Reliquet, C Victorri-Vigneau, F Raffi, P Jolliet. A simple high performance liquid chromatography assay for monitoring plasma concentrations of tipranavir in HIV infected patients. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2006 Mar; 832(2):317-20. doi: 10.1016/j.jchromb.2006.02.004. [PMID: 16497564]
  • Leopoldo Cruz-López, Edi A Malo, Jorge Toledo, Armando Virgen, Alejandro Del Mazo, Julio C Rojas. A new potential attractant for Anastrepha obliqua from Spondias mombin fruits. Journal of chemical ecology. 2006 Feb; 32(2):351-65. doi: 10.1007/s10886-005-9006-7. [PMID: 16555133]
  • N V S Ramakrishna, K N Vishwottam, S Wishu, M Koteshwara, J Chidambara. High-performance liquid chromatography method for the quantification of entacapone in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2005 Sep; 823(2):189-94. doi: 10.1016/j.jchromb.2005.06.036. [PMID: 16009606]
  • P Massaroti, N M Cassiano, L F Duarte, D R Campos, M A M Marchioretto, G Bernasconi, S Calafatti, F A P Barros, E C Meurer, J Pedrazzoli. Validation of a selective method for determination of paroxetine in human plasma by LC-MS/MS. Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques. 2005 Aug; 8(2):340-7. doi: NULL. [PMID: 16124946]
  • P Massaroti, L A B Moraes, M A M Marchioretto, N M Cassiano, G Bernasconi, S A Calafatti, F A P Barros, E C Meurer, J Pedrazzoli. Development and validation of a selective and robust LC-MS/MS method for quantifying amlodipine in human plasma. Analytical and bioanalytical chemistry. 2005 Jun; 382(4):1049-54. doi: 10.1007/s00216-005-3227-z. [PMID: 15891869]
  • Klaus-Dieter Riedel, Karin Rieger, Meret Martin-Facklam, Gerd Mikus, Walter E Haefeli, Jürgen Burhenne. Simultaneous determination of hypericin and hyperforin in human plasma with liquid chromatography-tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2004 Dec; 813(1-2):27-33. doi: 10.1016/j.jchromb.2004.09.061. [PMID: 15556512]
  • Verónica Albert, Pilar Modamio, Cecilia F Lastra, Eduardo L Mariño. Determination of saquinavir and ritonavir in human plasma by reversed-phase high-performance liquid chromatography and the analytical error function. Journal of pharmaceutical and biomedical analysis. 2004 Nov; 36(4):835-40. doi: 10.1016/j.jpba.2004.08.013. [PMID: 15533677]
  • Rafal A Derlacz, Adam K Jagielski, Anna Kiersztan, Katarzyna Winiarska, Jakub Drozak, Piotr Poplawski, Michal Wegrzynowicz, Katarzyna Chodnicka, Jadwiga Bryla. Amino-acid-dependent, differential effects of ethanol on glucose production in rabbit kidney-cortex tubules. Alcohol and alcoholism (Oxford, Oxfordshire). 2004 Mar; 39(2):93-100. doi: 10.1093/alcalc/agh038. [PMID: 14998823]
  • María J Jordán, Carlos A Margaría, Philip E Shaw, Kevin L Goodner. Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruit puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O. Journal of agricultural and food chemistry. 2003 Feb; 51(5):1421-6. doi: 10.1021/jf020765l. [PMID: 12590492]
  • Bernhard Watzer, Hannsjörg W Seyberth, Horst Schweer. Determination of misoprostol free acid in human breast milk and serum by gas chromatography/negative ion chemical ionization tandem mass spectrometry. Journal of mass spectrometry : JMS. 2002 Sep; 37(9):927-33. doi: 10.1002/jms.351. [PMID: 12271435]
  • J van Gelder, S Deferme, L Naesens, E De Clercq, G van den Mooter, R Kinget, P Augustijns. Intestinal absorption enhancement of the ester prodrug tenofovir disoproxil fumarate through modulation of the biochemical barrier by defined ester mixtures. Drug metabolism and disposition: the biological fate of chemicals. 2002 Aug; 30(8):924-30. doi: 10.1124/dmd.30.8.924. [PMID: 12124311]
  • I Niopas, A C Daftsios. Determination of clarithromycin in human plasma by HPLC with electrochemical detection: validation and application in pharmacokinetic study. Biomedical chromatography : BMC. 2001 Dec; 15(8):507-8. doi: 10.1002/bmc.111. [PMID: 11748684]
  • S N Muchoh, B R Ogutu, C R Newton, G O Kokwar. High-performance liquid chromatographic determination of diazepam in plasma of children with severe malaria. Journal of chromatography. B, Biomedical sciences and applications. 2001 Sep; 761(2):255-9. doi: 10.1016/s0378-4347(01)00284-5. [PMID: 11587356]
  • E Dailly, L Thomas, M F Kergueris, P Jolliet, M Bourin. High-performance liquid chromatographic assay to determine the plasma levels of HIV-protease inhibitors (amprenavir, indinavir, nelfinavir, ritonavir and saquinavir) and the non-nucleoside reverse transcriptase inhibitor (nevirapine) after liquid-liquid extraction. Journal of chromatography. B, Biomedical sciences and applications. 2001 Jul; 758(2):129-35. doi: 10.1016/s0378-4347(01)00117-7. [PMID: 11486821]
  • K Doyen, M Carey, R S Linforth, M Marin, A J Taylor. Volatile release from an emulsion: headspace and in-mouth studies. Journal of agricultural and food chemistry. 2001 Feb; 49(2):804-10. doi: 10.1021/jf000853a. [PMID: 11262033]
  • E Jouenne, J Crouzet. Aroma compounds-proteins interaction using headspace techniques. Advances in experimental medicine and biology. 2001; 488(?):33-41. doi: NULL. [PMID: 11548158]
  • E Guiraldes, S P Lamabadusuriya, J E Oyesiku, T E Whitfield, J T Harries. A comparative study on the effects of different bile salts on mucosal ATPase and transport in the rat jejunum in vivo. Biochimica et biophysica acta. 1975 May; 389(3):495-505. doi: 10.1016/0005-2736(75)90160-1. [PMID: 123787]