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Chem
J-GLOBAL ID：200907002016705139
Nikkaji number：J2.093.152C N,4-O,7-O-Triacetyl-β-neuraminic acid methyl ester
N,4-O,7-O-トリアセチル-β-ノイラミン酸メチル
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
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
Molecular formula： C16H25NO11
Molecular formula furigana： C16-H25-N-O11
Molecular weight： 407.372
InChI：
InChI=1S/C16H25NO11/c1-7(19)17-12-11(26-8(2)20)5-16(24,15(23)25-4)28-14(12)13(10(22)6-18)27-9(3)21/h10-14,18,22,24H,5-6H2,1-4H3,(H,17,19)/t10-,11+,12-,13-,14-,16+/m1/s1
InChI key：
BBLSVAXUQPGWAR-RZTQCUEVSA-N
SMILES：
COC(=O)[C@]1(O)C[C@H](OC(=O)C)[C@@H](NC(=O)C)[C@@H](O1)[C@H](OC(=O)C)[C@H](O)CO
Systematic name (3)： - N,4-O,7-O-トリアセチル-β-ノイラミン酸メチル
- メチル (2S,4S,5R,6R)-4-(アセチルオキシ)-6-[(1R,2R)-1-(アセチルオキシ)-2,3-ジヒドロキシプロピル]-5-アセトアミド-2-ヒドロキシオキサン-2-カルボキシラート
- methyl (2S,4S,5R,6R)-4-(acetyloxy)-6-[(1R,2R)-1-(acetyloxy)-2,3-dihydroxypropyl]-5-acetamido-2-hydroxyoxane-2-carboxylate
- N,4-O,7-O-Triacetyl-β-neuraminic acid methyl ester
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