Hexone (BioDeep_00000865912)
Main id: BioDeep_00000004247
代谢物信息卡片
Methyl isobutyl ketone [UN1245] [Flammable liquid]
化学式: C6H12O (100.0888)
中文名称: 甲基异丁基酮, 甲基异丁基甲酮
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC(C)CC(=O)C
InChI: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
描述信息
同义名列表
69 个代谢物同义名
Methyl isobutyl ketone [UN1245] [Flammable liquid]; 2-PENTANONE,4-METHYL METHYL,ISOBUTYL,KETONE; 4-01-00-03305 (Beilstein Handbook Reference); InChI=1\C6H12O\c1-5(2)4-6(3)7\h5H,4H2,1-3H; 4-Methyl-pentan-2-on [Dutch, German]; Methylisobutylketon [Dutch, German]; EPA Pesticide Chemical Code 044105; Methyl-isobutyl-cetone [French]; Metilisobutilchetone [Italian]; 4-Methyl-2-pentanone (natural); 4-Metilpentan-2-one [Italian]; Metyloizobutyloketon [Polish]; 2-Methylpropyl methyl ketone; Isobutyl-methylketon [Czech]; Methyl isobutyl ketone (NF); 4-Methyl-2-pentanon [Czech]; Ketone, isobutyl methyl; 2-Pentanone, 4-methyl-; Methyl-isobutyl-cetone; RCRA waste number U161; Methyl isobutyl ketone; Isobutyl methyl ketone; 4-Methyl-2-oxopentane; Metyloizobutyloketon; 2-Methyl-4-pentanone; 4-Methyl-2-pentanone; 4-Methylpentan-2-one; 4-Methyl-pentan-2-ON; Isobutyl-methylketon; Metilisobutilchetone; RCRA waste no. U161; 4-Methyl-2-pentanon; Methylisobutylketon; 4-Metilpentan-2-one; Isopropyl acetone; Caswell No. 574AA; FEMA Number 2731; Isopropylacetone; EINECS 203-550-1; NCGC00091475-01; W273104_ALDRICH; WLN: 1Y1 & 1V1; 442417_SUPELCO; 537713_ALDRICH; 293261_ALDRICH; Hexon [Czech]; FEMA No. 2731; ZINC01482107; 33463_RIEDEL; 02474_FLUKA; 58600_FLUKA; BRN 0605399; Isohexanone; 360511_SIAL; Shell mibk; CCRIS 2052; AI3-01229; Hexanone; 108-10-1; NSC 5712; HSDB 148; NSC5712; UN1245; D04989; Hexone; MIBK; MIK; Methyl isobutyl ketone; Methyl isobutyl ketone
数据库引用编号
8 个数据库交叉引用编号
- ChEBI: CHEBI:82344
- KEGG: C19263
- PubChem: 7909
- ChEMBL: CHEMBL285323
- CAS: 108-10-1
- PubChem: 124489935
- LipidMAPS: LMFA12000033
- KNApSAcK: 82344
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)
6 个相关的物种来源信息
- 1080010 - Aloe africana: 10.1021/JF010179C
- 66444 - Oreotragus oreotragus: 10.1023/B:JOEC.0000006681.33646.F4
- 42251 - Tuber borchii: 10.1016/S0031-9422(00)00308-3
- 136225 - Zingiber mioga: 10.1271/BBB1961.55.1655
- 33090 - 檀香: -
- 33090 - 麻黄: -
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
- H P Ye, J Shao, S W Tan, Y P Shi, K W Su, L Zhang. [Determination of methyl isobutyl ketone in urine by headspace coupled with gas chromatography-mass spectrometry].
Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases.
2022 Jan; 40(1):65-68. doi:
10.3760/cma.j.cn121094-20201130-00658. [PMID: 35255567] - Jerin Jose, Ligy Philip. Comparative study of degradation of toluene and methyl isobutyl ketone (MIBK) in aqueous solution by pulsed corona discharge plasma.
Journal of environmental sciences (China).
2021 Mar; 101(?):382-396. doi:
10.1016/j.jes.2020.09.003. [PMID: 33334533] - Marta Pastor-Belda, Natalia Campillo, Natalia Arroyo-Manzanares, Manuel Hernández-Córdoba, Pilar Viñas. Determination of amphenicol antibiotics and their glucuronide metabolites in urine samples using liquid chromatography with quadrupole time-of-flight mass spectrometry.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2020 Jun; 1146(?):122122. doi:
10.1016/j.jchromb.2020.122122. [PMID: 32334391] - S J Borghoff, T S Poet, S Green, J Davis, B Hughes, T Mensing, S S Sarang, A M Lynch, G C Hard. Methyl isobutyl ketone exposure-related increases in specific measures of α2u-globulin (α2u) nephropathy in male rats along with in vitro evidence of reversible protein binding.
Toxicology.
2015 Jul; 333(?):1-13. doi:
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Toxicology mechanisms and methods.
2012 Sep; 22(7):502-11. doi:
10.3109/15376516.2012.682664. [PMID: 22482743] - Md Jelas Haron, Hossein Jahangirian, Sidik Silong, Nor Azah Yusof, Anuar Kassim, Roshanak Rafiee-Moghaddam, Behnam Mahdavi, Mazyar Peyda, Yadollah Abdollahi, Jamileh Amin. Benzyl and methyl fatty hydroxamic acids based on palm kernel oil as chelating agent for liquid-liquid iron(III) extraction.
International journal of molecular sciences.
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10.3390/ijms13022148. [PMID: 22408444] - 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] - Minerva Martínez-Alfaro, Yolanda Alcaraz-Contreras, Alfonso Cárabez-Trejo, Guillermo E Leo-Amador. Oxidative stress effects of thinner inhalation.
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2011 Sep; 15(3):87-92. doi:
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2008 Mar; 152(1):245-52. doi:
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Environmental pollution (Barking, Essex : 1987).
2007 Nov; 150(2):234-42. doi:
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2007 Jul; 854(1-2):204-10. doi:
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National Toxicology Program technical report series.
2007 Feb; ?(538):1-236. doi:
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Guang pu xue yu guang pu fen xi = Guang pu.
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2006 Jul; 56(7):922-30. doi:
10.1080/10473289.2006.10464503. [PMID: 16878585] - Tetsuo Maeda, Kazuaki Wagatsuma, Yukio Okamoto. Direct determination of several elements in MIBK extract by high-power nitrogen-oxygen mixed gas microwave-induced plasma optical emission spectrometry.
Analytical and bioanalytical chemistry.
2005 Jun; 382(4):1152-8. doi:
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International journal of toxicology.
2004 Mar; 23(2):127-43. doi:
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Talanta.
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Toxicology letters.
2003 Jan; 136(3):199-204. doi:
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