Chem
J-GLOBAL ID:200907024898481928   Nikkaji number:J1.346.922I

4-O-(3-O-α-Neuraminosyl-β-D-galactopyranosyl)-1,2-dideoxy-D-arabino-1-hexenopyranose

4-O-(3-O-α-ノイラミノシル-β-D-ガラクトピラノシル)-1,2-ジデオキシ-D-arabino-1-ヘキセノピラノース
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H35NO16
Molecular formula furigana: C21-H35-N-O16
Molecular weight: 557.502
InChI: InChI=1S/C21H35NO16/c22-12-8(27)3-21(20(32)33,37-17(12)13(29)9(28)4-23)38-18-14(30)10(5-24)35-19(15(18)31)36-16-7(26)1-2-34-11(16)6-25/h1-2,7-19,23-31H,3-6,22H2,(H,32,33)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16+,17-,18+,19+,21+/m1/s1
InChI key: LVQWZSKSIQYIQL-CFUDEXFVSA-N
SMILES: N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)C=CO[C@@H]3CO)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (3):
  • 4-O-(3-O-α-ノイラミノシル-β-D-ガラクトピラノシル)-1,2-ジデオキシ-D-arabino-1-ヘキセノピラノース
  • (2S,4S,5R,6R)-5-アミノ-2-{[(2S,3R,4S,5S,6R)-3,5-ジヒドロキシ-2-{[(2R,3S,4R)-4-ヒドロキシ-2-(ヒドロキシメチル)-3,4-ジヒドロ-2H-ピラン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-4-ヒドロキシ-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
  • (2S,4S,5R,6R)-5-amino-2-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1):
  • 4-O-(3-O-α-Neuraminosyl-β-D-galactopyranosyl)-1,2-dideoxy-D-arabino-1-hexenopyranose
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