Chem
J-GLOBAL ID：200907030556776373   Nikkaji number：J2.742.962I

O-Acetylneuraminic acid

O-アセチルノイラミン酸
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： C11H19NO9
Molecular formula furigana： C11-H19-N-O9
Molecular weight： 309.271
InChI： InChI=1S/C11H19NO9/c1-4(13)20-3-6(15)8(16)9-7(12)5(14)2-11(19,21-9)10(17)18/h5-9,14-16,19H,2-3,12H2,1H3,(H,17,18)/t5-,6+,7+,8+,9+,11?/m0/s1
InChI key： BJOZNDRNJJZHPZ-LUWBGTNYSA-N
SMILES： CC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1N)C(=O)O
Systematic name  (3)：
  • (4S)-6α-[(1R,2R)-3-アセトキシ-1,2-ジヒドロキシプロピル]-5β-アミノ-2,4α-ジヒドロキシテトラヒドロ-2H-ピラン-2-カルボン酸
  • (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-アミノ-2,4-ジヒドロキシオキサン-2-カルボン酸
  • (4S,5R,6R)-6-[(1R,2R)-3-(acetyloxy)-1,2-dihydroxypropyl]-5-amino-2,4-dihydroxyoxane-2-carboxylic acid
Other name (4)：
  • (4S)-6α-[(1R,2R)-3-Acetoxy-1,2-dihydroxypropyl]-5β-amino-2,4α-dihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • O-Acetylneuraminic acid
  • O-Acetylated sialic acid
  • O-アセチルノイラミン酸
KEGG COMPOUND： C03525
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