3-Ethylphenol (BioDeep_00000009876)

 

Secondary id: BioDeep_00000858386

human metabolite


代谢物信息卡片


3-Ethyl-phenol

化学式: C8H10O (122.07316100000001)
中文名称: 3-乙基苯酚
谱图信息: 最多检出来源 Homo sapiens(feces) 8.4%

分子结构信息

SMILES: CCC1=CC(=CC=C1)O
InChI: InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3

描述信息

3-Ethylphenol belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group. 3-Ethylphenol is a musty tasting compound. 3-Ethylphenol has been detected, but not quantified, in cauliflowers. This could make 3-ethylphenol a potential biomarker for the consumption of these foods. 3-Ethylphenol is a potentially toxic compound.
CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5500; ORIGINAL_PRECURSOR_SCAN_NO 5498
CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5481; ORIGINAL_PRECURSOR_SCAN_NO 5477
CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5508; ORIGINAL_PRECURSOR_SCAN_NO 5504
CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5517; ORIGINAL_PRECURSOR_SCAN_NO 5515
CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5505; ORIGINAL_PRECURSOR_SCAN_NO 5503
CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5508; ORIGINAL_PRECURSOR_SCAN_NO 5507
Flavouring compound [Flavornet]

同义名列表

2 个代谢物同义名

3-Ethyl-phenol; 3-ETHYLPHENOL



数据库引用编号

18 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)

1 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

  • Eliningaya J Kweka, Eunice A Owino, Beda J Mwang'onde, Aneth M Mahande, Mramba Nyindo, Franklin Mosha. The role of cow urine in the oviposition site preference of culicine and Anopheles mosquitoes. Parasites & vectors. 2011 Sep; 4(?):184. doi: 10.1186/1756-3305-4-184. [PMID: 21943071]
  • Giorgia Sollai, Paolo Solari, Francesco Loy, Carla Masala, Roberto Crnjar, Anna Liscia. Morpho-functional identification of abdominal olfactory receptors in the midge Culicoides imicola. Journal of comparative physiology. A, Neuroethology, sensory, neural, and behavioral physiology. 2010 Nov; 196(11):817-24. doi: 10.1007/s00359-010-0561-1. [PMID: 20658345]
  • M Kilic, R C Lindsay. Distribution of conjugates of alkylphenols in milk from different ruminant species. Journal of dairy science. 2005 Jan; 88(1):7-12. doi: 10.3168/jds.s0022-0302(05)72656-4. [PMID: 15591361]
  • A Bhasin, A J Mordue Luntz, W Mordue. Field studies on efficacy of host odour baits for the biting midge Culicoides impunctatus in Scotland. Medical and veterinary entomology. 2001 Jun; 15(2):147-56. doi: 10.1046/j.1365-2915.2001.00285.x. [PMID: 11434548]
  • D J Minick, J H Frenz, M A Patrick, D A Brent. A comprehensive method for determining hydrophobicity constants by reversed-phase high-performance liquid chromatography. Journal of medicinal chemistry. 1988 Oct; 31(10):1923-33. doi: 10.1021/jm00118a010. [PMID: 3172126]