Chem
J-GLOBAL ID：200907083315177963   Nikkaji number：J1.258.373G

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

2-(アセチルアミノ)-3-O-[3-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]-2-デオキシ-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(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-17(37)12(6-30)43-23(18(21)38)44-19-14(27-8(2)32)22(39)42-11(5-29)16(19)36/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16+,17-,18+,19+,20+,21-,22?,23-,25-/m0/s1
InChI key： KMRCGPSUZRGVOV-PXCOXQERSA-N
SMILES： CC(=O)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@@H](CO)OC(O)[C@@H]3NC(=O)C)[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)-3-O-[3-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]-2-デオキシ-D-グルコピラノース
  • (2S,4S,5R,6R)-5-アセトアミド-2-{[(2R,3R,4S,5S,6R)-2-{[(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}-3,5-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}-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-acetamido-2-{[(2R,3R,4S,5S,6R)-2-{[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1)：
  • 2-(Acetylamino)-3-O-[3-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-2-deoxy-D-glucopyranose
Thsaurus map：
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