2-Acetylfuran (BioDeep_00001873802)

PANOMIX_OTCML-2023

代谢物信息卡片

1-(Furan-2-yl)ethanone

化学式: C6H6O2 (110.0367776)
中文名称: 2-乙酰呋喃
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=O)C1=CC=CO1
InChI: InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

描述信息

2-Acetylfuran (2-Furyl methyl ketone), an important flavour compound or intermediate in foods, is isolated from essential oils, sweet corn products, fruits and flowers. 2-Acetylfuran also can be formed from glucose and glycine by Maillard reaction. 2-Acetylfuran can be used to synthesis Cefuroxime[1][2].

同义名列表

4 个代谢物同义名

1-(Furan-2-yl)ethanone; 2-Acetylfuran; 2-Furyl methyl ketone; 2-Acetylfuran

数据库引用编号

5 个数据库交叉引用编号

ChEBI: CHEBI:59983
PubChem: 14505
CAS: 80145-44-4
CAS: 1192-62-7
medchemexpress: HY-W015912

分类词条

酮类

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)

19 个相关的物种来源信息

155132 - Akebia trifoliata: 10.5650/JOS.56.59
377125 - Apocynum venetum L.: -
28498 - Asarum canadense: 10.1021/JF00065A004
108594 - Campsis grandiflora: 10.1002/FFJ.2730040304
114816 - Castanopsis cuspidata: 10.1021/JF60224A025
13443 - Coffea arabica: 10.1021/JF60160A010
49827 - Glycyrrhiza glabra: 10.1021/JF60214A042
29780 - Mangifera indica: 10.1016/0031-9422(88)80124-9
45171 - Paeonia suffruticosa: 10.1080/00021369.1983.10866058
4054 - Panax ginseng: 10.1002/BMC.969
174549 - Polygala senega: 10.1002/FFJ.2730100408
120290 - Psidium guajava: 10.1016/0031-9422(82)80138-6
58860 - Tamarindus indica: 10.1080/10412905.1990.9697860
155022 - Terminalia chebula: 10.1002/CBDV.200900274
3641 - Theobroma cacao: 10.1021/JF60160A011
945837 - Vaccinium ashei: 10.1111/J.1365-2621.1985.TB13419.X
69266 - Vaccinium corymbosum: 10.1111/J.1365-2621.1985.TB13419.X
1493660 - Vaccinium virgatum: 10.1111/J.1365-2621.1985.TB13419.X
103349 - Vitis rotundifolia: 10.1111/J.1365-2621.1984.TB13669.X

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

Yun-Qi Wen, Hong-Wei Zhang, Chang-Hu Xue, Xiao-Han Wang, Shi-Jie Bi, Li-Li Xu, Qian-Qian Xue, Yong Xue, Zhao-Jie Li, Joaquín Velasco, Xiao-Ming Jiang. A chemometric study on the identification of 5-methylfurfural and 2-acetylfuran as particular volatile compounds of oxidized fish oil based on SHS-GC-IMS. Food chemistry. 2023 Jan; 399(?):133991. doi: 10.1016/j.foodchem.2022.133991. [PMID: 36037681]
P S Sujatha. Monitoring cytotoxic potentials of furfuryl alcohol and 2-furyl methyl ketone in mice. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2008 Jan; 46(1):286-92. doi: 10.1016/j.fct.2007.08.008. [PMID: 17904264]
Ben V Burger, Runine Visser, Alvira Moses, Maritha Le Roux. Elemental sulfur identified in urine of cheetah, Acinonyx jubatus. Journal of chemical ecology. 2006 Jun; 32(6):1347-52. doi: 10.1007/s10886-006-9056-5. [PMID: 16541335]
T Kawai, T Yasugi, K Mizunuma, S Horiguchi, Y Uchida, O Iwami, H Iguchi, M Ikeda. Dose-dependent increase in 2,5-hexanedione in the urine of workers exposed to n-hexane. International archives of occupational and environmental health. 1991; 63(4):285-91. doi: 10.1007/bf00386379. [PMID: 1743771]
T Kawai, T Yasugi, K Mizunuma, S Horiguchi, Y Uchida, O Iwami, H Iguchi, M Ikeda. 2-Acetylfuran, a confounder in urinalysis for 2,5-hexanedione as an n-hexane exposure indicator. International archives of occupational and environmental health. 1991; 63(3):213-9. doi: 10.1007/bf00381571. [PMID: 1917072]
F Hayase, R H Nagaraj, S Miyata, F G Njoroge, V M Monnier. Aging of proteins: immunological detection of a glucose-derived pyrrole formed during maillard reaction in vivo. The Journal of biological chemistry. 1989 Mar; 264(7):3758-64. doi: 10.1016/s0021-9258(19)84914-1. [PMID: 2917974]