Chem
J-GLOBAL ID：200907016400724044   Nikkaji number：J1.616.017B

N,4-O-Diacetylneuraminate

N,4-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(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13+/m1/s1
InChI key： LVBIMVQYUKOENY-XAGGSGLKSA-N
SMILES： CC(=O)N[C@@H]1[C@H](C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O)OC(=O)C
Systematic name  (3)：
  • N,4-O-ジアセチル-β-ノイラミン酸
  • (2S,4S,5R,6R)-4-(アセチルオキシ)-5-アセトアミド-2-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)-4-(acetyloxy)-5-acetamido-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (3)：
  • N,4-O-Diacetyl-β-neuraminic acid
  • N-Acetyl-4-O-acetylneuraminate
  • N,4-O-Diacetylneuraminate
KEGG COMPOUND： C04015
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