N-[(2S,3S,4S)-3,4-dihydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: N-[(2S,3S,4S)-3,4-dihydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide
• 化学式: C₅₀H₉₉NO₉
• 分子量: 858.3
• InChiKey: VQFKFAKEUMHBLV-PFJRQCCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16
• 重原子数：
  60
• 可旋转键数：
  44
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  169
• 氢给体数：
  7
• 氢受体数：
  9

文献信息

• COMPOSITIONS COMPRISING A B SUBUNIT OF SHIGA TOXIN AND A MEANS STIMULATING NKT CELLS
  申请人：UNIVERSITE RENE DESCARTES PARIS 5

  公开号：US20140205630A1

  公开（公告）日：2014-07-24

  The present invention relates to a composition comprising a) a B subunit of Shiga toxin or a functional equivalent thereof which is able to bind the Gb3 receptor, complexed with an antigen and b) at least one ligand of CDl capable of stimulating NK T cells; and to a pharmaceutical composition and a medicament comprising said composition.