SFE 10:0 (BioDeep_00000630625)

 

Secondary id: BioDeep_00000004285, BioDeep_00000026540, BioDeep_00000395811, BioDeep_00000859401

PANOMIX_OTCML-2023


代谢物信息卡片


n-Caproic acid n-butyl ester

化学式: C10H20O2 (172.14632200000003)
中文名称: 辛酸乙酯, 庚酸丙酯, 壬酸甲酯, 2-乙基-己酸乙酯, 己酸丁酯, 丁酸己酯, 乙酸辛酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.33%

分子结构信息

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

描述信息

A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol.
Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1].
Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1].

同义名列表

18 个代谢物同义名

Ethyl caprylate; ETHYL OCTANOATE; WE(2:0/8:0); SFE 10:0; Propyl heptanoate; METHYL NONANOATE; Ethyl 2-ethylhexanoate; orris capronate; Methyl 4-methyl-octanoate; WE(1:0/8:0(4Me)); ethyl 4-methyl-heptanoate; WE(2:0/7:0(4Me)); n-Caproic acid n-butyl ester; Butyl hexanoate; WE(4:0/6:0); HEXYL BUTYRATE; WE(6:0/4:0); Octyl acetate



数据库引用编号

42 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)

153 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

  • Hafize Yuca, Bilge Aydin, Songul Karakaya, Gamze Goger, Zeynebe Bingöl, Ayşe Civas, Mehmet Koca, Betül Demirci, Oksana Sytar, Ilhami Gulcin, Zuhal Guvenalp. Exploring Astrodaucus orientalis (L.) Drude: Phytochemical Analysis and its Biological Potential Against Alzheimer's and Diabetes. Chemistry & biodiversity. 2023 Dec; ?(?):e202301753. doi: 10.1002/cbdv.202301753. [PMID: 38156418]
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  • Călin Jianu, Ionuț Goleț, Daniela Stoin, Ileana Cocan, Alexandra Teodora Lukinich-Gruia. Antioxidant Activity of Pastinaca sativa L. ssp. sylvestris [Mill.] Rouy and Camus Essential Oil. Molecules (Basel, Switzerland). 2020 Feb; 25(4):. doi: 10.3390/molecules25040869. [PMID: 32079080]
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  • Martina Matoušková, Jana Jurová, Daniela Gruľová, Anna Wajs-Bonikowska, Marek Renčo, Vincent Sedlák, Janka Poráčová, Zuzana Gogaľová, Danuta Kalemba. Phytotoxic Effect of Invasive Heracleum mantegazzianum Essential Oil on Dicot and Monocot Species. Molecules (Basel, Switzerland). 2019 Jan; 24(3):. doi: 10.3390/molecules24030425. [PMID: 30682808]
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  • Yong-Wei Wang, Wei-Cai Zeng, Pei-Yu Xu, Ya-Jia Lan, Rui-Xue Zhu, Kai Zhong, Yi-Na Huang, Hong Gao. Chemical composition and antimicrobial activity of the essential oil of kumquat (Fortunella crassifolia Swingle) peel. International journal of molecular sciences. 2012; 13(3):3382-3393. doi: 10.3390/ijms13033382. [PMID: 22489157]
  • Dong H Cha, Thomas H Q Powell, Jeffrey L Feder, Charles E Linn. Identification of fruit volatiles from green hawthorn (Crataegus viridis) and blueberry hawthorn (Crataegus brachyacantha) host plants attractive to different phenotypes of Rhagoletis pomonella flies in the southern United States. Journal of chemical ecology. 2011 Sep; 37(9):974-83. doi: 10.1007/s10886-011-0014-5. [PMID: 21887525]
  • Pavel I Kitov, Eugenia Paszkiewicz, Joanna M Sadowska, Zhicheng Deng, Marya Ahmed, Ravin Narain, Thomas P Griener, George L Mulvey, Glen D Armstrong, David R Bundle. Impact of the nature and size of the polymeric backbone on the ability of heterobifunctional ligands to mediate shiga toxin and serum amyloid p component ternary complex formation. Toxins. 2011 09; 3(9):1065-88. doi: 10.3390/toxins3091065. [PMID: 22069757]
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  • Insaf F Khalil, Ulla Abildrup, Lene H Alifrangis, Deogratius Maiga, Michael Alifrangis, Lotte Hoegberg, Lasse S Vestergaard, Ola Per-Eric Persson, Nyagonde Nyagonde, Martha M Lemnge, Thor G Theander, Ib C Bygbjerg. Measurement of lumefantrine and its metabolite in plasma by high performance liquid chromatography with ultraviolet detection. Journal of pharmaceutical and biomedical analysis. 2011 Jan; 54(1):168-72. doi: 10.1016/j.jpba.2010.08.009. [PMID: 20832961]
  • Rafael C Dutra, Rafaela F Claudino, Allisson F Bento, Rodrigo Marcon, Eder C Schmidt, Zenilda L Bouzon, Luiz F Pianowski, João B Calixto. Preventive and therapeutic euphol treatment attenuates experimental colitis in mice. PloS one. 2011; 6(11):e27122. doi: 10.1371/journal.pone.0027122. [PMID: 22073270]
  • Syam Mohan, Ahmad Bustamam, Siddig Ibrahim, Adel S Al-Zubairi, Mohammed Aspollah, Rasedee Abdullah, Manal Mohamed Elhassan. In Vitro Ultramorphological Assessment of Apoptosis on CEMss Induced by Linoleic Acid-Rich Fraction from Typhonium flagelliforme Tuber. Evidence-based complementary and alternative medicine : eCAM. 2011; 2011(?):421894. doi: 10.1093/ecam/neq010. [PMID: 21785623]
  • 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]
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