bathymodiolamide A

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: bathymodiolamide A
• 英文别名: [(2S,3R,4S)-4-(dodecanoylamino)-2-hexadeca-6,9,12-trienoyloxy-3,5-dihydroxypentyl] hexadecanoate
• 化学式: C₄₉H₈₉NO₇
• 分子量: 804.248
• InChiKey: ZWRWCDYNQPJUJY-BOVPYFOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.7
• 重原子数：
  57
• 可旋转键数：
  44
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  bathymodiolamide A 在 Pseudomonas lipase enzyme type III 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 生成 (2S,3R,4S)-2-amino-1,3,4,5-pentane tetraol 、 棕榈酸
  参考文献：
  名称：

  Bathymodiolamides A and B, Ceramide Derivatives from a Deep-Sea Hydrothermal Vent Invertebrate Mussel, Bathymodiolus thermophilus

  摘要：

  Two ceramide derivatives, bathymodiolamides A (1) and B (2), were isolated from the deep-sea hydrothermal vent. invertebrate mussel Bathymodiolus thermophilus. The molecular structures of these compounds were determined using a:combination Of NMR spectroscopy, mass spectrometry, and chemical degradation. Biological activities were assessed in a ApopScreen cell based screen for apoptosis induction and potential anticancer. activity. To our knowledge, this is the first report of secondary metabolites from the Marine hydrothermal vent-mussel B. thermophilus.

  DOI：

  10.1021/np100601w

文献信息

• Bathymodiolamides A and B, Ceramide Derivatives from a Deep-Sea Hydrothermal Vent Invertebrate Mussel, <i>Bathymodiolus thermophilus</i>
  作者：Eric H. Andrianasolo、Liti Haramaty、Kerry L. McPhail、Eileen White、Costantino Vetriani、Paul Falkowski、Richard Lutz

  DOI：10.1021/np100601w

  日期：2011.4.25

  Two ceramide derivatives, bathymodiolamides A (1) and B (2), were isolated from the deep-sea hydrothermal vent. invertebrate mussel Bathymodiolus thermophilus. The molecular structures of these compounds were determined using a:combination Of NMR spectroscopy, mass spectrometry, and chemical degradation. Biological activities were assessed in a ApopScreen cell based screen for apoptosis induction and potential anticancer. activity. To our knowledge, this is the first report of secondary metabolites from the Marine hydrothermal vent-mussel B. thermophilus.