2,3-Pentanedione (BioDeep_00000017708)

 

Secondary id: BioDeep_00000617073, BioDeep_00000866877

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


4-01-00-03660 (Beilstein Handbook Reference)

化学式: C5H8O2 (100.05242679999999)
中文名称: 2,3-戊二酮, 2,3-戊二酮
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 80%

分子结构信息

SMILES: CC(C(CC)=O)=O
InChI: InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3

描述信息

2,3-Pentanedione, also known as acetyl propionyl or pentan-2,3-dione, belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms. 2,3-Pentanedione is a sweet, butter, and caramel tasting compound. 2,3-Pentanedione has been detected, but not quantified, in several different foods, such as coffee and coffee products, tamarinds, cauliflowers, green beans, and cereals and cereal products.
Pentane-2,3-dione is an alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. It has a role as a flavouring agent. It is an alpha-diketone and a methyl ketone. It derives from a hydride of a pentane.
2,3-Pentanedione is a natural product found in Mangifera indica, Carica papaya, and other organisms with data available.
2,3-pentanedione is a metabolite found in or produced by Saccharomyces cerevisiae.
2,3-Pentanedione is a flavouring ingredient. It is found in many foods, some of which are coffee and coffee products, milk and milk products, tea, and fruits.
2,3-Pentanedione is a common constituent of synthetic flavorings and is used to impart a butter, strawberry, caramel, fruit, rum, or cheese flavor in beverages, ice cream, candy, baked goods, gelatins, and puddings. 2,3-Pentanedione also occurs naturally as a fermentation product in beer, wine, and yogurt and is releasedduring roasting of coffee beans[1].
2,3-Pentanedione is a common constituent of synthetic flavorings and is used to impart a butter, strawberry, caramel, fruit, rum, or cheese flavor in beverages, ice cream, candy, baked goods, gelatins, and puddings. 2,3-Pentanedione also occurs naturally as a fermentation product in beer, wine, and yogurt and is releasedduring roasting of coffee beans[1].

同义名列表

26 个代谢物同义名

4-01-00-03660 (Beilstein Handbook Reference); InChI=1/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H; 2,3-Pentanedione, natural, >=96\\%, FG; 2,3-Pentanedione, analytical standard; 2,3-Pentanedione, >=96\\%, FCC, FG; Benzil-related compound, 43; Acetyl propionyl (natural); 2,3-PENTANEDIONE [FHFI]; 2,3-PENTANEDIONE [FCC]; 2,3-Pentanedione, 97\\%; Acetylpropionyl (VAN); ethyl methyl diketone; pentane-2,3-dione; 2,3,-pentanedione; 2,3-pentane-dione; acetyl propionyl; Pentan-2,3-dione; 2,3-Pentanedione; Acetylpropionyl; CH3C(O)C(O)C2H5; 2,3-pentandione; 23-PENTANEDIONE; UNII-K4WBE45SCM; 2,3-Pentadione; K4WBE45SCM; FEMA 2841



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(4)

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)

2 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

  • Satoshi Endo, Namiki Miyagi, Toshiyuki Matsunaga, Akira Ikari. Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11. Chemico-biological interactions. 2019 May; 305(?):12-20. doi: 10.1016/j.cbi.2019.03.026. [PMID: 30926317]
  • Brent D Kerger, Kerry A Thuett, Brent L Finley. Evaluation of four α-diketones for toll-like receptor-4 (TLR-4) activation in a human transfected cell line. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2014 Dec; 74(?):117-9. doi: 10.1016/j.fct.2014.09.010. [PMID: 25280922]
  • María del Carmen Hurtado-Sánchez, Anunciación Espinosa-Mansilla, María Isabel Rodríguez-Cáceres, Elisabet Martín-Tornero, Isabel Durán-Merás. Development of a method for the determination of advanced glycation end products precursors by liquid chromatography and its application in human urine samples. Journal of separation science. 2012 Oct; 35(19):2575-84. doi: 10.1002/jssc.201200255. [PMID: 22887755]
  • Andrea Burdack-Freitag, Peter Schieberle. Characterization of the key odorants in raw Italian hazelnuts ( Corylus avellana L. var. Tonda Romana) and roasted hazelnut paste by means of molecular sensory science. Journal of agricultural and food chemistry. 2012 May; 60(20):5057-64. doi: 10.1021/jf300908d. [PMID: 22515832]
  • Virginia Celia Resconi, Ana Escudero, José Antonio Beltrán, José Luis Olleta, Carlos Sañudo, María del Mar Campo. Color, lipid oxidation, sensory quality, and aroma compounds of beef steaks displayed under different levels of oxygen in a modified atmosphere package. Journal of food science. 2012 Jan; 77(1):S10-8. doi: 10.1111/j.1750-3841.2011.02506.x. [PMID: 22182210]
  • Jin Yang, Zhen Qu, Yu-Ling Xiao, Guo-Fu Qiu, Tao Zhang, Zhong-Yuan Wu, Xian-Ran He, Xian-Ming Hu. Chemical composition and antioxidant activity of the essential oil of endemic Viola tianshanica. Natural product research. 2011 Oct; 25(17):1635-40. doi: 10.1080/14786419.2010.511218. [PMID: 22011223]
  • Jibin Sun, Rolf Daniel, Irene Wagner-Döbler, An-Ping Zeng. Is autoinducer-2 a universal signal for interspecies communication: a comparative genomic and phylogenetic analysis of the synthesis and signal transduction pathways. BMC evolutionary biology. 2004 Sep; 4(?):36. doi: 10.1186/1471-2148-4-36. [PMID: 15456522]
  • Yong-Suk Kim, Dong-Hwa Shin. Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities. Journal of agricultural and food chemistry. 2004 Feb; 52(4):781-7. doi: 10.1021/jf034936d. [PMID: 14969531]
  • Kazuki Akira, Yui Matsumoto, Takao Hashimoto. Determination of urinary glyoxal and methylglyoxal by high-performance liquid chromatography. Clinical chemistry and laboratory medicine. 2004 Feb; 42(2):147-53. doi: 10.1515/cclm.2004.027. [PMID: 15061352]
  • Ge Jiang, Wei Qiu, Patrick P DeLuca. Preparation and in vitro/in vivo evaluation of insulin-loaded poly(acryloyl-hydroxyethyl starch)-PLGA composite microspheres. Pharmaceutical research. 2003 Mar; 20(3):452-9. doi: 10.1023/a:1022668507748. [PMID: 12669968]
  • B H Woo, G Jiang, Y W Jo, P P DeLuca. Preparation and characterization of a composite PLGA and poly(acryloyl hydroxyethyl starch) microsphere system for protein delivery. Pharmaceutical research. 2001 Nov; 18(11):1600-6. doi: 10.1023/a:1013090700443. [PMID: 11758769]