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硫代乙酸甲酯的红外光谱和拉曼光谱:旨在理解辅酶A酯的生化反应活性

Infrared and Raman spectra of S-methyl thioacetate: toward an understanding of the biochemical reactivity of esters of coenzyme A.

作者信息

El-Aasar A M, Nash C P, Ingraham L L

出版信息

Biochemistry. 1982 Apr 13;21(8):1972-6. doi: 10.1021/bi00537a042.

DOI:10.1021/bi00537a042
PMID:7082657
Abstract

The infrared and Raman spectra of S-methyl thioacetate and CD3C(O)SCH3 have been determined. These spectra and those in the literature ofr S-ethyl thioacetate have been assigned. These data together with literature assignments for thioformic acid, thioacetic acid, and S-methyl thioformate were used in normal coordinate calculations. The stretching force constant for the carbonyl group of thioesters and thio acids is found to be very similar to that for the carboxyl group of ketones. In addition, the value of the stretching force constant for the C(O)-S bond in thioesters and thio acids indicates that this entity has no double-bond character. The carbonly group of acetyl coenzyme A is essentially the same as that of a ketone.

摘要

已测定硫代乙酸甲酯和CD3C(O)SCH3的红外光谱和拉曼光谱。这些光谱以及文献中硫代乙酸乙酯的光谱已进行归属。这些数据连同硫代甲酸、硫代乙酸和硫代甲酸甲酯的文献归属一起用于正规坐标计算。发现硫酯和硫代酸羰基的伸缩力常数与酮羧基的伸缩力常数非常相似。此外,硫酯和硫代酸中C(O)-S键的伸缩力常数表明该实体没有双键特征。乙酰辅酶A的羰基与酮的羰基基本相同。

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