Chem
J-GLOBAL ID：200907062269268137   Nikkaji number：J1.114.126I

STn antigen

STn抗原
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： C19H32N2O14
Molecular formula furigana： C19-H32-N2-O14
Molecular weight： 512.465
InChI： InChI=1S/C19H32N2O14/c1-6(23)20-11-8(25)3-19(18(31)32,35-16(11)13(27)9(26)4-22)33-5-10-14(28)15(29)12(17(30)34-10)21-7(2)24/h8-17,22,25-30H,3-5H2,1-2H3,(H,20,23)(H,21,24)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17-,19+/m0/s1
InChI key： CZOGCRVBCLRHQJ-WHWAGLCYSA-N
SMILES： CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O2)[C@H](O)[C@H](O)CO)C(=O)O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(アセチルアミノ)-2-デオキシ-6-O-(N-アセチル-α-ノイラミノシル)-α-D-ガラクトピラノース
  • (2R,4S,5R,6R)-5-アセトアミド-2-{[(2R,3R,4R,5R,6S)-5-アセトアミド-3,4,6-トリヒドロキシオキサン-2-イル]メトキシ}-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
  • (2R,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (3)：
  • 2-(Acetylamino)-2-deoxy-6-O-(N-acetyl-α-neuraminosyl)-α-D-galactopyranose
  • STn抗原
  • STn antigen
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