(±)-2-Heptanol (BioDeep_00000017715)

   

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds


代谢物信息卡片


InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H

化学式: C7H16O (116.12010860000001)
中文名称: 2-庚醇, 戊基甲基甲醇
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.13%

分子结构信息

SMILES: CC(O)CCCCC
InChI: InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3

描述信息

2-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.
Heptan-2-ol is a secondary alcohol that is heptane substituted by a hydroxy group at position 2. It has a role as a bacterial metabolite and a plant metabolite. It is a heptanol and a secondary alcohol.
2-Heptanol is a natural product found in Vitis rotundifolia, Coffea arabica, and other organisms with data available.
2-Heptanol is a metabolite found in or produced by Saccharomyces cerevisiae.
(±)-2-Heptanol belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. (±)-2-Heptanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (±)-2-heptanol is considered to be a fatty alcohol lipid molecule
A secondary alcohol that is heptane substituted by a hydroxy group at position 2.
Flavouring ingredient
2-Heptanol is one of chemical constituents identified in the essential oil of rhizome of Curcuma angustifolia and Curcuma zedoaria. Rhizome essential oil exhibited good antimicrobial and antioxidant activity[1].
2-Heptanol is one of chemical constituents identified in the essential oil of rhizome of Curcuma angustifolia and Curcuma zedoaria. Rhizome essential oil exhibited good antimicrobial and antioxidant activity[1].

同义名列表

35 个代谢物同义名

InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H; 3-01-00-01685 (Beilstein Handbook Reference); 2-Heptanol, purum, >=99.0\\% (GC); 2-Heptanol, analytical standard; Heptan-2-ol; 2-Heptanol; 2-Heptanol, >=97\\%, FG; 2-Heptanol (natural); Amyl methyl carbinol; Methyl amyl carbinol; Heptyl alcohol, sec-; Methylpentylcarbinol; Amylmethylcarbinol; 2-Heptanol, >=97\\%; 2-HEPTANOL [FHFI]; CH3(CH2)4CHOHCH3; 2-Hydroxyheptane; (+/-)-2-Heptanol; s-Heptyl alcohol; 2-Heptanol, 98\\%; 2-Heptyl alcohol; UNII-E12FIG07JK; 1-Methylhexanol; 2-HEPTANOL [MI]; DL-HEPTAN-2-OL; (±)-2-Heptanol; n-Heptan-2-ol; Tox21_302517; Heptan-2-ol; 2-Heptanol; WLN: QY5&1; Heptanol-2; E12FIG07JK; AI3-11263; FOH 7:0; 2-Heptanol



数据库引用编号

17 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)

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17 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

  • Julien Brechbühl, Gaëlle Luyet, Fabian Moine, Ivan Rodriguez, Marie-Christine Broillet. Imaging pheromone sensing in a mouse vomeronasal acute tissue slice preparation. Journal of visualized experiments : JoVE. 2011 Dec; ?(58):. doi: 10.3791/3311. [PMID: 22157638]
  • Ramona A Cole, William A Haber, Robert O Lawton, William N Setzer. Leaf essential oil composition of three species of Myrcianthes from Monteverde, Costa Rica. Chemistry & biodiversity. 2008 Jul; 5(7):1327-34. doi: 10.1002/cbdv.200890120. [PMID: 18649320]
  • E F L R A Patricio, L Cruz-López, E D Morgan. Electroantennography in the study of two stingless bee species (Hymenoptera: Meliponini). Brazilian journal of biology = Revista brasleira de biologia. 2004 Nov; 64(4):827-31. doi: 10.1590/s1519-69842004000500012. [PMID: 15744423]
  • Hervé Simian, Fabien Robert, Imre Blank. Identification and synthesis of 2-heptanethiol, a new flavor compound found in bell peppers. Journal of agricultural and food chemistry. 2004 Jan; 52(2):306-10. doi: 10.1021/jf035008h. [PMID: 14733513]
  • Shih-Guei Fu, Youngmo Yoon, Russell Bazemore. Aroma-active components in fermented bamboo shoots. Journal of agricultural and food chemistry. 2002 Jan; 50(3):549-54. doi: 10.1021/jf010883t. [PMID: 11804528]
  • L O Sunesen, V Dorigoni, E Zanardi, L Stahnke. Volatile compounds released during ripening in Italian dried sausage. Meat science. 2001 May; 58(1):93-7. doi: 10.1016/s0309-1740(00)00139-x. [PMID: 22061925]
  • T B Cooper, G M Simpson. Plasma/blood level monitoring techniques in psychiatry. Psychopharmacology bulletin. 1975 Oct; 11(4):18-20. doi: NULL. [PMID: 713]