Mycobacterium smegmatis is often used to study the different components of mycobacterial cell wall. Mycolic acids are important components of mycobacterial cell wall that have been associated with virulence. Recently, a novel lipid containing mycolic acids has been described in M. smegmatis. However, some uncertainties regarding the structure of this molecule named mycolate ester wax have been reported. The objective of this work was to perform an in depth structural study of this molecule for its precise characterization. Using ¹H and ¹³C NMR spectroscopy, the molecular structure of mycolate ester wax found in M. smegmatis has been elucidated. The characterization was complemented with MS analyses. This molecule is formed by a carbon chain with three methyl substituted olefinic units and a mycolate structure with trans double bonds and cis cyclopropane rings. The present molecular study will facilitate the detection and identification of pentatriacontatrienyl mycolate in future studies by the performance of a simple 1D ¹H NMR experiment.

耻垢分枝杆菌通常用于研究分枝杆菌细胞壁的不同成分。分枝杆菌酸是分枝杆菌细胞壁与毒力相关的重要组成部分。最近，在耻垢分枝杆菌中描述了一种含有霉菌酸的新型脂质。但是，已经报道了有关称为麦考酸酯酯蜡的分子结构的一些不确定性。这项工作的目的是对该分子进行深入的结构研究，以对其进行精确表征。使用¹ H和¹³ C NMR光谱，发现耻垢分枝杆菌中的霉菌酸酯蜡的分子结构已经阐明。表征得到MS分析的补充。该分子由具有三个甲基取代的烯烃单元的碳链和具有反式双键和顺式环丙烷环的霉菌酸酯结构形成。通过一个简单的1D ¹ H NMR实验，本分子研究将有助于在将来的研究中检测和鉴定五角叉菜形三烯基甲酸酯。