ethyl acetoacetate (BioDeep_00001867798)
Main id: BioDeep_00000005226
代谢物信息卡片
化学式: C6H10O3 (130.063)
中文名称: 乙酰乙酸乙酯(EAA), 乙酰乙酸乙酯
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCOC(=O)CC(=O)C
InChI: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
描述信息
An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.
同义名列表
3 个代谢物同义名
ethyl acetoacetate; Ethyl 3-oxobutanoate; Ethyl acetoacetate
数据库引用编号
10 个数据库交叉引用编号
- ChEBI: CHEBI:4893
- KEGG: C03500
- PubChem: 8868
- ChEMBL: CHEMBL169176
- CAS: 141-97-9
- MetaboLights: MTBLC4893
- PubChem: 6312
- PDB-CCD: EAC
- NIKKAJI: J4.493H
- KNApSAcK: 4893
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)
0 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
- Ali Maleki, Fereshte Hassanzadeh-Afruzi, Zahra Varzi, Mir Saeed Esmaeili. Magnetic dextrin nanobiomaterial: An organic-inorganic hybrid catalyst for the synthesis of biologically active polyhydroquinoline derivatives by asymmetric Hantzsch reaction.
Materials science & engineering. C, Materials for biological applications.
2020 Apr; 109(?):110502. doi:
10.1016/j.msec.2019.110502
. [PMID: 32228990] - Mohamed Awad, Mohamed A Hammad, Ahmed M Abdel-Megied, Mahmoud A Omar. Utility of Von Pechman synthesis of coumarin reaction for development of spectrofluorimetric method for quantitation of salmeterol xinafoate in pharmaceutical preparations and human plasma.
Luminescence : the journal of biological and chemical luminescence.
2018 Aug; 33(5):913-918. doi:
10.1002/bio.3490
. [PMID: 29708303] - Qinxue Ni, Guangzhi Xu, Qianxin Gao, Dongdong Yang, Youzuo Zhang. Evaluation of reactive oxygen species scavenging activities and DNA damage prevention effect of Pleioblastus kongosanensis f. aureostriatus leaf extract by chemiluminescence assay.
Journal of photochemistry and photobiology. B, Biology.
2013 Nov; 128(?):115-21. doi:
10.1016/j.jphotobiol.2013.07.018
. [PMID: 24103782] - Zhong-Hua Yang, Li Luo, Xu Chang, Wei Zhou, Geng-Hua Chen, Yan Zhao, Ya-Jun Wang. Production of chiral alcohols from prochiral ketones by microalgal photo-biocatalytic asymmetric reduction reaction.
Journal of industrial microbiology & biotechnology.
2012 Jun; 39(6):835-41. doi:
10.1007/s10295-012-1088-y
. [PMID: 22322691] - Xiaofang Quan, Yi Wang, Xiaofeng Ma, Yan Liang, Weixi Tian, Qingyun Ma, Hezhong Jiang, Youxing Zhao. α-Mangostin induces apoptosis and suppresses differentiation of 3T3-L1 cells via inhibiting fatty acid synthase.
PloS one.
2012; 7(3):e33376. doi:
10.1371/journal.pone.0033376
. [PMID: 22428036] - Jasmin Shah, M Rasul Jan, Sultan Shah, M Naeem. Spectrofluorimetric protocol for ceftriaxone in commercial formulation and human plasma after condensation with formaldehyde and ethyl acetoacetate.
Journal of fluorescence.
2011 Nov; 21(6):2155-63. doi:
10.1007/s10895-011-0917-0
. [PMID: 21748238] - Jeck Fei Ng, Stephan Jaenicke, Klaus Eisele, Jan Dorn, Tanja Weil. cBSA-147 for the preparation of bacterial biofilms in a microchannel reactor.
Biointerphases.
2010 Sep; 5(3):FA41-7. doi:
10.1116/1.3474475
. [PMID: 21171712] - Soumya S Bhattacharyya, Saili Paul, Sushil K Mandal, Antara Banerjee, Naoual Boujedaini, Anisur R Khuda-Bukhsh. A synthetic coumarin (4-methyl-7 hydroxy coumarin) has anti-cancer potentials against DMBA-induced skin cancer in mice.
European journal of pharmacology.
2009 Jul; 614(1-3):128-36. doi:
10.1016/j.ejphar.2009.04.015
. [PMID: 19393233] - Kemal Ahmed, Gonfa Ayana, Ephrem Engidawork. Lead exposure study among workers in lead acid battery repair units of transport service enterprises, Addis Ababa, Ethiopia: a cross-sectional study.
Journal of occupational medicine and toxicology (London, England).
2008 Nov; 3(?):30. doi:
10.1186/1745-6673-3-30
. [PMID: 19040746] - T Hashimoto, M Suganuma, H Fujiki, M Yamada, T Kohno, Y Asakawa. Isolation and synthesis of TNF-alpha release inhibitors from Fijian kawa (Piper methysticum).
Phytomedicine : international journal of phytotherapy and phytopharmacology.
2003 May; 10(4):309-17. doi:
10.1078/094471103322004802
. [PMID: 12809361] - A K Setzer, B Slotnick. Odor detection in rats with 3-methylindole-induced reduction of sensory input.
Physiology & behavior.
1998 Dec; 65(3):489-96. doi:
10.1016/s0031-9384(98)00186-3
. [PMID: 9877415] - R Miura, Y Nishina, S Fuji, K Shiga. C-NMR study on the interaction of medium-chain acyl-CoA dehydrogenase with acetoacetyl-CoA.
Journal of biochemistry.
1996 Mar; 119(3):512-9. doi:
10.1093/oxfordjournals.jbchem.a021271
. [PMID: 8830047] - W M Cook, R Purchase, G P Ford, D M Creasy, P G Brantom, S D Gangolli. A 28-day feeding study with ethyl acetoacetate in rats.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.
1992 Jul; 30(7):567-73. doi:
10.1016/0278-6915(92)90190-v
. [PMID: 1521830]