Chem
J-GLOBAL ID：200907044772885366   Nikkaji number：J1.320.518C

N-Acetyl-2-methylthio-2-deoxy-α-neuraminic acid

N-アセチル-2-メチルチオ-2-デオキシ-α-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： C12H21NO8S
Molecular formula furigana： C12-H21-N-O8-S
Molecular weight： 339.360
InChI： InChI=1S/C12H21NO8S/c1-5(15)13-8-6(16)3-12(22-2,11(19)20)21-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12-/m0/s1
InChI key： XQKPIAKDFAJDFK-AGNBLMTLSA-N
SMILES： CS[C@@]1(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (4)：
  • 2-(メチルチオ)-2-デオキシ-N-アセチル-α-ノイラミン酸
  • N-アセチル-2-メチルチオ-2-デオキシ-α-ノイラミン酸
  • (2S,4S,5R,6R)-5-アセトアミド-4-ヒドロキシ-2-(メチルスルファニル)-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)-5-acetamido-4-hydroxy-2-(methylsulfanyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (2)：
  • 2-(Methylthio)-2-deoxy-N-acetyl-α-neuraminic acid
  • N-Acetyl-2-methylthio-2-deoxy-α-neuraminic acid
Thsaurus map：
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