Chem
J-GLOBAL ID：200907020042476294   Nikkaji number：J796.439K

N,9-O-Diacetylneuraminate

N,9-O-ジアセチル-β-ノイラミン酸
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： C13H21NO10
Molecular formula furigana： C13-H21-N-O10
Molecular weight： 351.308
InChI： InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
InChI key： NYWZBRWKDRMPAS-GRRZBWEESA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)COC(=O)C)C(=O)O
Systematic name  (3)：
  • N,9-O-ジアセチル-β-ノイラミン酸
  • (2S,4S,5R,6R)-6-[(1R,2R)-3-(アセチルオキシ)-1,2-ジヒドロキシプロピル]-5-アセトアミド-2,4-ジヒドロキシオキサン-2-カルボン酸
  • (2S,4S,5R,6R)-6-[(1R,2R)-3-(acetyloxy)-1,2-dihydroxypropyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid
Other name (3)：
  • N,9-O-Diacetyl-β-neuraminic acid
  • N-Acetyl-9-O-acetylneuraminate
  • N,9-O-Diacetylneuraminate
KEGG COMPOUND： C04017
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