alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp6PEtn-(1->5)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->6)-lipid A (C. jejuni)

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp6PEtn-(1->5)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->6)-lipid A (C. jejuni)
• 英文别名: (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-6-[(2R,3S,4S,5R,6R)-2-[(2S,3S,4R,5S,6S)-2-[(1S)-1-[3-aminopropoxy(hydroxy)phosphoryl]oxy-2-hydroxyethyl]-6-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(1R)-1,2-dihydroxyethyl]-6-[[(2R,3S,4R,5R,6R)-4-[(3R)-3-hexadecanoyloxytetradecanoyl]oxy-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]oxan-2-yl]methoxy]oxan-3-yl]oxy-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,5-dihydroxyoxan-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• 化学式: C₁₇₉H₃₁₉N₆O₉₀P₃
• 分子量: 4088.0
• InChiKey: SJKUXTOFAPNBDP-ZPXRLOGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  278
• 可旋转键数：
  143
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  1520
• 氢给体数：
  49
• 氢受体数：
  91