The crystal structure of gliotoxin.
The crystal structure of gliotoxin.
复制标题
胶霉毒素的晶体结构。
DOI：
10.1107/s0365110x67002944
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发表时间：
1967
期刊：
影响因子：
--
通讯作者：
A. Mathieson
中科院分区：
文献类型：
--
作者：
J. Fridrichsons;A. Mathieson
Gliotoxin，C13 H1404 N2 S2，是一种来自Gliocladium fimbriatum的真菌产物，属于单斜晶系，a= 10.17，B= 7.49，c= 18-28 A，fl= 100.7 °（150°C），Z=4。空间群为P2 x，不对称单元中有两个独立的分子。通过三维Patterson分布和傅立叶合成，用来自围绕B轴的6层和围绕a轴的7层Weissenberg照片的数据（2856个反射）确定结构，并通过全矩阵最小二乘计算和差分合成精确到R-0.088。骨架结构由二硫键桥联的哌嗪二酮体系和三个侧基-CH 3、-CHEOH和-OH组成，其中哌嗪二酮体系通过五元吡咯烷型环连接到环己二烯环上。绝对配置已确定通过使用的异常分散的硫原子，建立手性的斜二烯生色团和二硫桥。
Gliotoxin, C13H1404N2S2, a fungal product from Gliocladium fimbriatum, crystallizes in the monoclinic system with a= 10.17, b= 7.49, c= 18-28 A,, fl= 100.7 ° (at 150°C), Z=4. The space group being P2x, there are two independent molecules in the asymmetric unit. The structure was determined with data (2856 reflexions) from Weissenberg photographs of 6 layers around the b axis and 7 layers around the a axis by means of a three-dimensional Patterson distribution and a Fourier synthesis, and refined by full-matrix least-squares calculations and difference syntheses to R--0.088. The skeletal structure consists of a disulphide-bridged piperazinedione system linked through a five-membered pyrrolidinetype ring to a cyclohexadiene ring and three side groups of-CH3, -CHEOH and -OH. The absolute configuration has been determined by the use of the anomalous dispersion of the sulphur atoms, establishing the chirality of the skew diene chromophore and of the disulphide bridge.