Chem
J-GLOBAL ID:200907000303030611   Nikkaji number:J1.970.418A

4-O-[3-O-[3-O-[3-O-(N-Acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-D-glucopyranose

4-O-[3-O-[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-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-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: C37H62N2O29
Molecular formula furigana: C37-H62-N2-O29
Molecular weight: 998.888
InChI: InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-29(17)19(49)12(48)4-40)68-31-22(52)15(7-43)63-35(26(31)56)65-28-18(39-10(2)46)33(61-13(5-41)20(28)50)66-30-21(51)14(6-42)62-34(25(30)55)64-27-16(8-44)60-32(57)24(54)23(27)53/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-,32?,33-,34-,35-,37-/m0/s1
InChI key: IOAPDMZSLCJVCR-OYHBKBROSA-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)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)OC(O)[C@H](O)[C@H]5O)[C@@H]4O)[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):
  • 4-O-[3-O-[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-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-D-グルコピラノース
  • (2S,4S,5R,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{[(2R,3S,4R,5R)-4,5,6-トリヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}オキサン-4-イル]オキシ}-3-アセトアミド-5-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}-5-アセトアミド-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)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1):
  • 4-O-[3-O-[3-O-[3-O-(N-Acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-D-glucopyranose
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