Chem
J-GLOBAL ID：200907096742838711   Nikkaji number：J1.296.958I

N-(2-Aminoethyl)-9-[3-O-[2-O-[3-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-6-O-[3-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-β-D-mannopyranosyloxy]nonanamide

N-(2-アミノエチル)-9-[3-O-[2-O-[3-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-α-D-マンノピラノシル]-6-O-[3-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-β-D-マンノピラノシルオキシ]ノナンアミド
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： C47H84N2O32
Molecular formula furigana： C47-H84-N2-O32
Molecular weight： 1189.171
InChI： InChI=1S/C47H84N2O32/c48-8-9-49-23(55)7-5-3-1-2-4-6-10-70-42-35(67)40(29(61)22(77-42)16-71-43-36(68)38(27(59)20(14-53)72-43)78-44-33(65)30(62)24(56)17(11-50)73-44)80-47-41(32(64)26(58)19(13-52)76-47)81-46-37(69)39(28(60)21(15-54)75-46)79-45-34(66)31(63)25(57)18(12-51)74-45/h17-22,24-47,50-54,56-69H,1-16,48H2,(H,49,55)/t17-,18-,19-,20-,21-,22-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43+,44-,45-,46-,47-/m1/s1
InChI key： YSJTWWJFJSJSAA-DSKYJKBCSA-N
SMILES： NCCNC(=O)CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O
Systematic name  (3)：
  • N-(2-アミノエチル)-9-[3-O-[2-O-[3-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-α-D-マンノピラノシル]-6-O-[3-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-β-D-マンノピラノシルオキシ]ノナンアミド
  • N-(2-アミノエチル)-9-{[(2R,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5R,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-6-({[(2S,3S,4S,5R,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}メチル)-3,5-ジヒドロキシオキサン-2-イル]オキシ}ノナンアミド
  • N-(2-aminoethyl)-9-{[(2R,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxyoxan-2-yl]oxy}nonanamide
Other name (1)：
  • N-(2-Aminoethyl)-9-[3-O-[2-O-[3-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-6-O-[3-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-β-D-mannopyranosyloxy]nonanamide
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