Chemical Compound

(2S,2'R,3'S,4S,4'S,5R,5'S,6R,6'R)-2'-[(2S,3R,4R,5S,6R)-2-{[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl](hydroxy)methyl}-5-acetamido-3,4-dihydroxy-6-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]oxan-4-yl]-3',4,4',5'-tetrahydroxy-5-(2-hydroxyacetamido)-6'-(hydroxymethyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-[2,4'-bioxane]-2-carboxylic acid

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(2S,2'R,3'S,4S,4'S,5R,5'S,6R,6'R)-2'-[(2S,3R,4R,5S,6R)-2-{[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl](hydroxy)methyl}-5-acetamido-3,4-dihydroxy-6-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]oxan-4-yl]-3',4,4',5'-tetrahydroxy-5-(2-hydroxyacetamido)-6'-(hydroxymethyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-[2,4'-bioxane]-2-carboxylic acid 结构式
Primary record

(2S,2'R,3'S,4S,4'S,5R,5'S,6R,6'R)-2'-[(2S,3R,4R,5S,6R)-2-{[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl](hydroxy)methyl}-5-acetamido-3,4-dihydroxy-6-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]oxan-4-yl]-3',4,4',5'-tetrahydroxy-5-(2-hydroxyacetamido)-6'-(hydroxymethyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-[2,4'-bioxane]-2-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177522322
SMILES
CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@]1([C@H]2[C@@H]([C@@]([C@H]([C@H](O2)CO)O)([C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)O)C([C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)[C@@](C=O)([C@H]([C@@H]([C@@H](CO)O)O)O)O
Canonical SMILES
CC(=O)N[C@H]1[C@H]([C@@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](C(O)[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H](O)[C@@]1(O)[C@@H]1O[C@H](CO)[C@H](O)[C@@](O)([C@]2(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O

名称与同义词

  • J1.396.206E
  • Neu5Gc(alpha2-3)Gal(beta1-3)[Neu5Gc(alpha2-6)]GlcNAc(beta1-2)Man
  • (2S,2'R,3'S,4S,4'S,5R,5'S,6R,6'R)-2'-[(2S,3R,4R,5S,6R)-2-{[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl](hydroxy)methyl}-5-acetamido-3,4-dihydroxy-6-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]oxan-4-yl]-3',4,4',5'-tetrahydroxy-5-(2-hydroxyacetamido)-6'-(hydroxymethyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-[2,4'-bioxane]-2-carboxylic acid
  • 2-[2-(Acetylamino)-2-deoxy-3-[3-(N-glycolyl-alpha-neuraminosyl)-beta-D-galactopyranosyl]-6-(N-glycolyl-alpha-neuraminosyl)-beta-D-glucopyranosyl]-D-mannose