Chem
J-GLOBAL ID：200907062262093080   Nikkaji number：J1.320.517E

2-(4-Aminophenylthio)-2-deoxy-N-acetyl-α-neuraminic acid

2-(4-アミノフェニルチオ)-2-デオキシ-N-アセチル-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： C17H24N2O8S
Molecular formula furigana： C17-H24-N2-O8-S
Molecular weight： 416.450
InChI： InChI=1S/C17H24N2O8S/c1-8(21)19-13-11(22)6-17(16(25)26,27-15(13)14(24)12(23)7-20)28-10-4-2-9(18)3-5-10/h2-5,11-15,20,22-24H,6-7,18H2,1H3,(H,19,21)(H,25,26)/t11-,12+,13+,14+,15+,17-/m0/s1
InChI key： YGBWANSIEZOYBY-CXECBNLGSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(Sc1ccc(N)cc1)C(=O)O
Systematic name  (3)：
  • 2-(4-アミノフェニルチオ)-2-デオキシ-N-アセチル-α-ノイラミン酸
  • (2S,4S,5R,6R)-2-[(4-アミノフェニル)スルファニル]-5-アセトアミド-4-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)-2-[(4-aminophenyl)sulfanyl]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1)：
  • 2-(4-Aminophenylthio)-2-deoxy-N-acetyl-α-neuraminic acid
Thsaurus map：
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