4-[3-Carboxypropanoyl(2,2-dimethylbutanoyl)amino]-4-oxobutanoic acid;4-[2-(3-carboxypropanoyloxy)-3-(2,2-dimethylbutanoyloxy)propoxy]-4-oxobutanoic acid;4-[4-(2,2-dimethylbutanoyloxy)butoxy]-4-oxobutanoic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;3-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]-1,3-thiazolidine-5-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 4-[3-Carboxypropanoyl(2,2-dimethylbutanoyl)amino]-4-oxobutanoic acid;4-[2-(3-carboxypropanoyloxy)-3-(2,2-dimethylbutanoyloxy)propoxy]-4-oxobutanoic acid;4-[4-(2,2-dimethylbutanoyloxy)butoxy]-4-oxobutanoic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;3-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]-1,3-thiazolidine-5-carboxylic acid
• 英文别名: 4-[3-carboxypropanoyl(2,2-dimethylbutanoyl)amino]-4-oxobutanoic acid;4-[2-(3-carboxypropanoyloxy)-3-(2,2-dimethylbutanoyloxy)propoxy]-4-oxobutanoic acid;4-[4-(2,2-dimethylbutanoyloxy)butoxy]-4-oxobutanoic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;2-[1-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid;3-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]-1,3-thiazolidine-5-carboxylic acid
• 化学式: C87H142N2O40S
• 分子量: 1888.1
• InChiKey: XYTKTNSNLFTGCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.43
• 重原子数：
  130
• 可旋转键数：
  65
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  665
• 氢给体数：
  9
• 氢受体数：
  42