3-pentanol (BioDeep_00000228585)

Main id: BioDeep_00000004237

Secondary id: BioDeep_00000376963, BioDeep_00000866890

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product


代谢物信息卡片


1-Ethyl-1-propanol

化学式: C5H12O (88.0888102)
中文名称: 3-戊醇
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 25%

分子结构信息

SMILES: CC(C)CCO
InChI: InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

描述信息

3-Pentanol, also known as (C2H5)2choh or 3-pentyl alcohol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R, R=alkyl, aryl). 3-Pentanol is an extremely weak basic (essentially neutral) compound (based on its pKa). 3-Pentanol is a sweet, fruit, and herbal tasting compound. 3-Pentanol has been detected, but not quantified in, prickly pears. This could make 3-pentanol a potential biomarker for the consumption of these foods. 3-Pentanol is one of eight isomers of amyl alcohol. An amyl alcohol is any of 8 alcohols with the formula C5H12O. A mixture of amyl alcohols (also called amyl alcohol) can be obtained from fusel alcohol. Amyl alcohol is used as a solvent and in esterfication, by which is produced amyl acetate and other important products. The name amyl alcohol without further specification applies to the normal (straight-chain) form, 1-pentanol.
Flavouring compound [Flavornet]
3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1].
3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1].

同义名列表

12 个代谢物同义名

1-Ethyl-1-propanol; Sec-pentyl alcohol; Sec-amyl alcohol; Diethyl carbinol; 3-Pentyl alcohol; Isoamyl alcohol; Sec-pentanol; Pentan-3-ol; (C2H5)2choh; Pentanol-3; 3-PENTANOL; 3-Pentanol



数据库引用编号

13 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)

30 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

  • Rieta Gols, James M Bullock, Marcel Dicke, Tibor Bukovinszky, Jeffrey A Harvey. Smelling the wood from the trees: non-linear parasitoid responses to volatile attractants produced by wild and cultivated cabbage. Journal of chemical ecology. 2011 Aug; 37(8):795-807. doi: 10.1007/s10886-011-9993-5. [PMID: 21748300]
  • Khalid Muzaffar Banday, Kishore Kumar Pasikanti, Eric Chun Yong Chan, Rupak Singla, Kanury Venkata Subba Rao, Virander Singh Chauhan, Ranjan Kumar Nanda. Use of urine volatile organic compounds to discriminate tuberculosis patients from healthy subjects. Analytical chemistry. 2011 Jul; 83(14):5526-34. doi: 10.1021/ac200265g. [PMID: 21619052]