Chem
J-GLOBAL ID：200907008512796185   Nikkaji number：J1.296.926K

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

N-(2-アミノエチル)-9-[3-O-[2-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-6-O-(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： C35H64N2O22
Molecular formula furigana： C35-H64-N2-O22
Molecular weight： 864.889
InChI： InChI=1S/C35H64N2O22/c36-8-9-37-19(41)7-5-3-1-2-4-6-10-52-33-29(51)30(23(45)18(57-33)14-53-32-27(49)24(46)20(42)15(11-38)54-32)58-35-31(26(48)22(44)17(13-40)56-35)59-34-28(50)25(47)21(43)16(12-39)55-34/h15-18,20-35,38-40,42-51H,1-14,36H2,(H,37,41)/t15-,16-,17-,18-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-/m1/s1
InChI key： GSLKFVGBROOFCY-CUXZTBCVSA-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]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]2O)[C@@H]1O
Systematic name  (3)：
  • N-(2-アミノエチル)-9-[3-O-[2-O-(α-D-マンノピラノシル)-α-D-マンノピラノシル]-6-O-(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)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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}-3,5-ジヒドロキシ-6-({[(2S,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}メチル)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)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}nonanamide
Other name (1)：
  • N-(2-Aminoethyl)-9-[3-O-[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-6-O-(α-D-mannopyranosyl)-β-D-mannopyranosyloxy]nonanamide
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