4-Methyl-3-penten-2-one, 9CI (BioDeep_00000026527)
human metabolite Endogenous
代谢物信息卡片
化学式: C6H10O (98.0732)
中文名称: 异丙叉丙酮, 均三甲苯氧化物
谱图信息:
最多检出来源 Homo sapiens(not specific) 50%
分子结构信息
SMILES: CC(=CC(=O)C)C
InChI: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
描述信息
4-Methyl-3-penten-2-one, also known as isopropylidene acetone or (CH3)2C=chc(=o)CH3, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 4-Methyl-3-penten-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 4-methyl-3-penten-2-one is considered to be an oxygenated hydrocarbon lipid molecule. 4-Methyl-3-penten-2-one is a sweet, acrylic, and chemical tasting compound. 4-Methyl-3-penten-2-one has been detected, but not quantified, in several different foods, such as orange bell peppers, pepper (c. frutescens), herbs and spices, yellow bell peppers, and green bell peppers. This could make 4-methyl-3-penten-2-one a potential biomarker for the consumption of these foods. With regards to humans, 4-Methyl-3-penten-2-one has been linked to the inborn metabolic disorder celiac disease.
Flavouring ingredient. Constituent of Capsicum subspecies, Osmanthus fragrans (sweet osmanthus) and other plants. 4-Methyl-3-penten-2-one, 9CI is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, orange bell pepper, and red bell pepper.
同义名列表
29 个代谢物同义名
4-Methyl-3-penten-2-one (mesityl oxide); 3-PENTEN,2-one,4-methyl mesityloxide; Methyl 2-methyl-1-propenyl ketone; Methyl 2,2-dimethylvinyl ketone; 2,2-Dimethylvinyl methyl ketone; 4-Methyl-3-penten-2-one, 9CI; 2-Methyl-4-oxo-2-pentene; 4-Methyl-3-pentene-2-one; Isobutenyl methyl ketone; Methyl isobutenyl ketone; 2-Methyl-2-penten-4-one; 1-Methylpent-2-en-4-one; 4-Methyl-3-penten-2-one; 4-Methylpent-3-en-2-one; Isopropylidene acetone; 4-Methyl-3-penten-2-ON; 4-Metil-3-penten-2-one; 2-Methyl-2-pentenone-4; Isopropylidene-acetone; Isopropylideneacetone; (CH3)2C=chc(=o)CH3; ossido Di mesitile; Oxyde de mesityle; 3-Isohexen-2-one; MESITYL OXIDE; Mesityloxyde; Mesityloxid; FEMA 3368; Mesityl oxide
数据库引用编号
10 个数据库交叉引用编号
- ChEBI: CHEBI:89993
- PubChem: 8858
- HMDB: HMDB0031563
- ChEMBL: CHEMBL3185916
- KNApSAcK: C00051541
- foodb: FDB008178
- chemspider: 8526
- CAS: 141-79-7
- PMhub: MS000226812
- RefMet: 4-Methyl-3-penten-2-one, 9CI
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)
5 个相关的物种来源信息
- 1548133 - Bistorta manshuriensis: 10.1002/CBDV.201100326
- 590118 - Cystoseira elegans: 10.1016/S0031-9422(00)88670-7
- 9606 - Homo sapiens: -
- 153348 - Lepidium meyenii: 10.1016/S0031-9422(02)00208-X
- 189786 - Tamarix aphylla: 10.4103/0250-474X.113546
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。
亚细胞结构定位 | 关联基因列表 |
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文献列表
- Andreas Thalassitis, Dimitra J Hadjipavlou-Litina, Konstantinos E Litinas, Panagiotis Miltiadou. Synthesis of modified homo-N-nucleosides from the reactions of mesityl nitrile oxide with 9-allylpurines and their influence on lipid peroxidation and thrombin inhibition.
Bioorganic & medicinal chemistry letters.
2009 Nov; 19(22):6433-6. doi:
10.1016/j.bmcl.2009.09.040
. [PMID: 19811914] - Yuya Nakai, William H Tepp, Tobin J Dickerson, Eric A Johnson, Kim D Janda. Function-oriented synthesis applied to the anti-botulinum natural product toosendanin.
Bioorganic & medicinal chemistry.
2009 Feb; 17(3):1152-7. doi:
10.1016/j.bmc.2008.12.042
. [PMID: 19131252] - Lin Zhu, Yan Lu, Duane D Miller, Ram I Mahato. Structural and formulation factors influencing pyridinium lipid-based gene transfer.
Bioconjugate chemistry.
2008 Dec; 19(12):2499-512. doi:
10.1021/bc8004039
. [PMID: 19053309] - Laila H Ribeiro, Ana M Costa Freitas, Marco D R Gomes da Silva. The use of headspace solid phase microextraction for the characterization of volatile compounds in olive oil matrices.
Talanta.
2008 Oct; 77(1):110-7. doi:
10.1016/j.talanta.2008.05.051
. [PMID: 18804607] - Eskil Sahlin. Two-dimensional capillary electrophoresis using tangentially connected capillaries.
Journal of chromatography. A.
2007 Jun; 1154(1-2):454-9. doi:
10.1016/j.chroma.2007.04.001
. [PMID: 17459399] - Ihsan Ergün, M Cenk Akbostanci, Başol Canbakan, Bilge Koçer, Arzu Ensari, Gökhan Nergizoglu, Kenan Keven. Minimal change nephrotic syndrome with stiff-person syndrome: is there a link?.
American journal of kidney diseases : the official journal of the National Kidney Foundation.
2005 Jul; 46(1):e11-4. doi:
10.1053/j.ajkd.2005.03.009
. [PMID: 15983949] - A Babu, A Hern, S Dorn. Sources of semiochemicals mediating host finding in Callosobruchus chinensis (Coleoptera: Bruchidae).
Bulletin of entomological research.
2003 Jun; 93(3):187-92. doi:
10.1079/ber2003231
. [PMID: 12762860] - Deborah R Fravel, William J Connick, Casey C Grimm, Steven W Lloyd. Volatile compounds emitted by sclerotia of Sclerotinia minor, Sclerotinia sclerotiorum, and Sclerotium rolfsii.
Journal of agricultural and food chemistry.
2002 Jun; 50(13):3761-4. doi:
10.1021/jf0117098
. [PMID: 12059156] - A Koj, J Chudzik, A Dubin. Substrate specificity and modifications of the active centre of elastase-like neutral proteinases from horse blood leucocytes.
The Biochemical journal.
1976 Feb; 153(2):397-402. doi:
10.1042/bj1530397
. [PMID: 6009]