Chem
J-GLOBAL ID：201007039491919056   Nikkaji number：J2.872.355E

2-(Acetylamino)-2-deoxy-3-O-[6-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-D-glucopyranose

2-(アセチルアミノ)-2-デオキシ-3-O-[6-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-D-グルコピラノース
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： C25H42N2O19
Molecular formula furigana： C25-H42-N2-O19
Molecular weight： 674.606
InChI： InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-14(27-8(2)31)22(39)43-11(5-29)17(20)36/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22?,23-,25+/m0/s1
InChI key： YCVQZAZAYAGZGC-GRCOFDOYSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3NC(=O)C)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (3)：
  • 2-(アセチルアミノ)-2-デオキシ-3-O-[6-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-D-グルコピラノース
  • (2R,4S,5R,6R)-5-アセトアミド-2-{[(2R,3R,4S,5R,6R)-6-{[(3R,4R,5S,6R)-3-アセトアミド-2,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-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
  • (2R,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4S,5R,6R)-6-{[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1)：
  • 2-(Acetylamino)-2-deoxy-3-O-[6-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-D-glucopyranose
Thsaurus map：
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