(2S,4S,5R)-5-acetamido-2-[2-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-6-[3-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-1,3-dihydroxy-2-(hydroxymethyl)propyl]-2-carboxy-4-hydroxyoxan-2-yl]-hydroxymethyl]-6-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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]-1-hydroxyethyl]-6-[3-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-1,3-dihydroxy-2-(hydroxymethyl)propyl]-4-hydroxyoxane-2-carboxylic acid

分子结构分类

有机化合物 - 脂质和类脂质分子 - 鞘脂

中文名称

——

中文别名

——

英文名称

(2S,4S,5R)-5-acetamido-2-[2-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-6-[3-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-1,3-dihydroxy-2-(hydroxymethyl)propyl]-2-carboxy-4-hydroxyoxan-2-yl]-hydroxymethyl]-6-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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]-1-hydroxyethyl]-6-[3-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-1,3-dihydroxy-2-(hydroxymethyl)propyl]-4-hydroxyoxane-2-carboxylic acid

英文别名

——

(2S,4S,5R)-5-acetamido-2-[2-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4-[[(2S,4S,5R)-5-acetamido-6-[3-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-1,3-dihydroxy-2-(hydroxymethyl)propyl]-2-carboxy-4-hydroxyoxan-2-yl]-hydroxymethyl]-6-[(2R,3S,4R,5R,6R)-6-[(E,2R,3S)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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]-1-hydroxyethyl]-6-[3-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]-1,3-dihydroxy-2-(hydroxymethyl)propyl]-4-hydroxyoxane-2-carboxylic acid化学式

CAS

——

化学式

C₁₀₉H₁₈₈N₆O₅₅

mdl

——

分子量

2462.7

InChiKey

LZAPZXPFHRCXFJ-NYKWKTQHSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-5.1
重原子数：

170
可旋转键数：

72
环数：

8.0
sp3杂化的碳原子比例：

0.89
拓扑面积：

1020
氢给体数：

39
氢受体数：

55

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鞘磷酯鞘氨醇半乳糖苷-3'-硫酸酯西地芬戈葡糖鞘氨醇半乳糖苷脑苷脂类脑苷脂D 脑苷脂 B 神经鞘氨醇半乳糖苷神经酸酰胺神经酰胺N-甲基氨基乙基膦酸酯神经酰胺神经节苷酯Gm3内酯神经节苷酯GM1(牛脑) 神经节苷脂GM3 溶血神经酰胺三己糖苷正二十四烷基二氢-葡糖脑苷脂己酰神经鞘氨醇大豆脑苷 I 双唾液酸神经节苷酯GD1A 双唾液酸神经节苷脂GD2 单唾液酸神经节苷酯十四酰鞘氨醇人脾脏葡糖苷酰鞘氨醇二羟基神经酰胺二十二烷酰胺,N-[1-[(b-D-吡喃葡萄糖氧基)甲基]-2,3-二羟基-5-十七碳烯基]-2-羟基-(9CI) 二十二烷酰胺,N-[(1S,2R,3E,7E,9E)-1-[(b-D-吡喃葡萄糖氧基)甲基]-2-羟基-8-甲基-3,7,9-十七碳三烯-1-基]-2-羟基-,(2R)- 二十二烷酰胺,N-[(1S,2R,3E)-2-羟基-1-(羟甲基)-3-十五碳烯基]- 乳酰基-N-脂酰基鞘氨醇(牛) 乳糖酰基鞘糖脂乳糖酰基鞘氨醇 β-D-葡萄糖基C4-神经酰胺 alpha-半乳糖基-C16-神经酰胺 [(E,2S,3R)-3-羟基-2-[[(Z)-十八碳-9-烯酰基]氨基]十八碳-4-烯基]2-三甲基铵乙基磷酸酯盐 [(E,2S,3R)-3-羟基-2-[[(Z)-3-芘-1-基丙-2-烯酰基]氨基]十八碳-4-烯基]2-三甲基铵乙基磷酸酯盐 [(E,2S,3R)-3-羟基-2-[11-(芘-1-基磺酰基氨基)十一烷酰基氨基]十八碳-4-烯基]2-三甲基铵乙基磷酸酯盐 [(2R,3S,4S,5R,6R)-3,5-二羟基-2-(羟基甲基)-6-[(E,2S,3R)-3-羟基-2-(二十四烷酰基氨基)十八碳-4-烯氧基]四氢吡喃-4-基]氢硫酸盐 TNPAL-鞘磷脂 O-甘露糖基-(1-3)-O-甘露糖基-(1-4)-O-吡喃葡萄糖基-(1-1)-2-N-二十四烷酰基鞘氨醇 N-（NBD-氨基脲酰）沙丁胺醇 N-辛酰基神经酰胺-1-磷酸酯(铵盐) N-辛酰基4-羟基鞘氨醇(酿酒酵母) N-辛酰基-D-神经鞘氨醇 N-肉豆蔻酰-D-赤型-鞘氨醇 N-神经酰基-D-赤型鞘氨酰基磷酸胆碱 N-硬脂酰神经鞘氨醇 N-硬脂酰植物鞘氨醇 N-硬脂酰基-DL-二氢乳脑苷 N-硬脂酰-dl-二氢-葡糖脑苷脂 N-硬脂酰-D-鞘磷脂 N-癸酰-D-鞘胺醇

分子结构分类

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