Name: Heparan Sulfate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671400
Cas No:9050-30-0
常用名:Heparan Sulfate
别名:硫酸乙酰肝素, 硫酸类肝素
IUPAC:(3R,4R,5R,6R)-3-{[(2S,3R,4R,5R)-5-{[(2R,3R,4S,5R)-6-carboxylato-4-hydroxy-5-methoxy-3-(sulfonatooxy)oxan-2-yl]oxy}-4-hydroxy-3-(sulfonatoamino)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-4,5-dihydroxy-6-{[(3S,4R,5R,6R)-6-methoxy-5-(sulfonatoamino)-4-(sulfonatooxy)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}oxane-2-carboxylate amine
IUPAC:(3R,4R,5R,6R)-3-{[(2S,3R,4R,5R)-5-{[(2R,3R,4S,5R)-6-carboxylato-4-hydroxy-5-methoxy-3-(sulfonatooxy)oxan-2-yl]oxy}-4-hydroxy-3-(sulfonatoamino)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-4,5-dihydroxy-6-{[(3S,4R,5R,6R)-6-methoxy-5-(sulfonatoamino)-4-(sulfonatooxy)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}oxane-2-carboxylate amine
InChI key:XSIDRQZFWFCLLF-VBQKACDESA-F

分子式:C26H39N3O39S6
分子量:1209.94
氢键供体数 (HBD):6
氢键受体数 (HBA):35
LogP:-7.4466505
SMILES:N.CO[C@@H]1OC(COS([O-])(=O)=O)[C@H](O[C@@H]2OC([C@H](O[C@@H]3OC(COS([O-])(=O)=O)[C@H](O[C@@H]4OC([C@H](OC)[C@H](O)[C@H]4OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2O)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]1NS([O-])(=O)=O
SMILES:N.CO[C@@H]1OC(COS([O-])(=O)=O)[C@H](O[C@@H]2OC([C@H](O[C@@H]3OC(COS([O-])(=O)=O)[C@H](O[C@@H]4OC([C@H](OC)[C@H](O)[C@H]4OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2O)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]1NS([O-])(=O)=O

Heparan sulfate 属于天然产物，是一种线性多糖。Heparan sulfate 以蛋白多糖 (HSPG) 的形式出现，紧密附着在细胞表面或细胞外基质蛋白上。

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