Ethyl butylacetylaminopropionate (BioDeep_00000012435)

 

Secondary id: BioDeep_00001868163

human metabolite blood metabolite


代谢物信息卡片


3-(N-N-Butyl)-N-acetylaminopropionic acid ethyl ester

化学式: C11H21NO3 (215.1521356)
中文名称: 丁基乙酰氨基丙酸乙酯
谱图信息: 最多检出来源 Homo sapiens(blood) 18.82%

分子结构信息

SMILES: CCCCN(C(C)=O)CCC(OCC)=O
InChI: InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1192; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8182; ORIGINAL_PRECURSOR_SCAN_NO 8180
CONFIDENCE standard compound; INTERNAL_ID 1192; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8200; ORIGINAL_PRECURSOR_SCAN_NO 8198
CONFIDENCE standard compound; INTERNAL_ID 1192; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8129; ORIGINAL_PRECURSOR_SCAN_NO 8127
CONFIDENCE standard compound; INTERNAL_ID 1192; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8126; ORIGINAL_PRECURSOR_SCAN_NO 8124
CONFIDENCE standard compound; INTERNAL_ID 1192; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8142; ORIGINAL_PRECURSOR_SCAN_NO 8139
CONFIDENCE standard compound; INTERNAL_ID 1192; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8176; ORIGINAL_PRECURSOR_SCAN_NO 8173

同义名列表

13 个代谢物同义名

3-(N-N-Butyl)-N-acetylaminopropionic acid ethyl ester; Ethyl-3-(N-N-butyl-N-acetyl)aminopropionate; Ethyl 3-[acetyl(butyl)amino]propanoic acid; Ethyl 3-(N-butylacetamido)propanoic acid; ethyl 3-(N-butylacetamido)propanoate; Ethyl 3-(N-butylacetamido)propionate; Ethyl butylacetylaminopropionic acid; Ethyl N-acetyl-N-butyl-β-alaninate; Ethyl butylacetylaminopropionate; Insect repellent merck 3535; Insect repellent m 3535; Repellent 3535; EBAAP



数据库引用编号

21 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)

3 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

  • Pingxi Xu, Young-Moo Choo, Alyssa De La Rosa, Walter S Leal. Mosquito odorant receptor for DEET and methyl jasmonate. Proceedings of the National Academy of Sciences of the United States of America. 2014 Nov; 111(46):16592-7. doi: 10.1073/pnas.1417244111. [PMID: 25349401]
  • Karina Caballero-Gallardo, Jesús Olivero-Verbel, Elena E Stashenko. Repellent activity of essential oils and some of their individual constituents against Tribolium castaneum herbst. Journal of agricultural and food chemistry. 2011 Mar; 59(5):1690-6. doi: 10.1021/jf103937p. [PMID: 21291237]
  • Mohammad A Mottaleb, Sascha Usenko, John G O'Donnell, Alejandro J Ramirez, Bryan W Brooks, C Kevin Chambliss. Gas chromatography-mass spectrometry screening methods for select UV filters, synthetic musks, alkylphenols, an antimicrobial agent, and an insect repellent in fish. Journal of chromatography. A. 2009 Jan; 1216(5):815-23. doi: 10.1016/j.chroma.2008.11.072. [PMID: 19100555]