1-Pentanol (BioDeep_00000004203)

Main id: BioDeep_00000004237

Secondary id: BioDeep_00000629758, BioDeep_00001871680

human metabolite Endogenous Volatile Flavor Compounds


代谢物信息卡片


N-Pentanol, 1-(13)C-labeled CPD

化学式: C5H12O (88.0888102)
中文名称: 戊醇, 1-戊醇, 正戊醇
谱图信息: 最多检出来源 Homo sapiens(blood) 6.9%

分子结构信息

SMILES: CC(C)CCO
InChI: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3

描述信息

1-Pentanol, also known as butylcarbinol or 1-pentyl alcohol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, 1-pentanol is considered to be a fatty alcohol lipid molecule. 1-Pentanol is an organic compound with the formula C5H12O. 1-Pentanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. All eight isomers of 1-Pentanol are known:; It is a colourless liquid of density 0.8247 g/cm3 (0 oC), boiling at 131.6 oC, slightly soluble in water, easily soluble in organic solvents. 1-Pentanol exists in all eukaryotes, ranging from yeast to humans. 1-Pentanol is a sweet, balsamic, and fusel tasting compound. 1-Pentanol can be found in a few different foods, such as black walnuts, common thymes, and tea and in a lower concentration in safflowers, highbush blueberries, and kohlrabis. 1-Pentanol has also been detected, but not quantified, in several different foods, such as corns, garden tomato (var.), allspices, cherry tomato, and evergreen blackberries. It possesses a characteristic strong smell and a sharp burning taste. The other amyl alcohols may be obtained synthetically. It is a solid that melts at 48 to 50 °C and boils at 112.3 °C. On passing its vapour through a red-hot tube, it decomposes with production of acetylene, ethylene, propylene, and other compounds. Of these, tertiary 1-Pentanol has been the most difficult to obtain, its synthesis having first been reported in 1891, by L. Tissier (Comptes Rendus, 1891, 112, p. 1065) by the reduction of a mixture of trimethyl acetic acid and trimethylacetyl chloride with sodium amalgam. It is oxidized by chromic acid to isovaleraldehyde, and it forms crystalline addition compounds with calcium chloride and tin(IV) chloride. When pure, it is nontoxic, while the impure product is toxic.
Widely distributed in plant sources, e.g. peppermint oil, tomatoes, tea, potatoes. Flavouring ingredient

同义名列表

44 个代谢物同义名

N-Pentanol, 1-(13)C-labeled CPD; n-Amyl alcohol, Pentyl alcohol; N-Pentanol, titanium (4+) salt; N-Pentanol, magnesium salt; N-Pentanol, potassium salt; N-Pentanol, aluminum salt; N-Pentanol, calcium salt; N-Pentanol, barium salt; N-Pentanol, sodium salt; Primary-N-amyl alcohol; Amyl alcohol (natural); Amyl alcohol, normal; Primary amyl alcohol; Amyl alcohol normal; N-Pentyl alcohol; 1-Pentyl alcohol; N-Pentyl-alcohol; Alcool amylique; N-Butylcarbinol; Isoamyl alcohol; N-Amyl alcohol; Pentyl alcohol; Butyl carbinol; Pentyl-alcohol; Butylcarbinol; N-Amylalkohol; N-Pentan-1-ol; Pentylalkohol; Amyl alcohol; Amylalkohol; Pentan-1-ol; C5 Alcohol; Petan-1-ol; N-Pentanol; penta-1-ol; 1-Pentanol; Pentanol-1; N-C5H11OH; Pentanols; pentanol; Pentasol; 1-Pentol; Amylol; 1-Pentanol



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)

32 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

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