Chem
J-GLOBAL ID：200907012594238204   Nikkaji number：J2.075.511C

1-O-(2-Azidoethyl)-N-acetyl-3-O-[3-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucosamine

1-O-(2-アジドエチル)-N-アセチル-3-O-[3-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコサミン
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： C27H45N3[N-][N+]O19
Molecular formula furigana： C27-H45-N5-O19
Molecular weight： 743.673
InChI： InChI=1S/C27H45N5O19/c1-9(36)30-15-11(38)5-27(26(44)45,50-22(15)17(40)12(39)6-33)51-23-19(42)14(8-35)48-25(20(23)43)49-21-16(31-10(2)37)24(46-4-3-29-32-28)47-13(7-34)18(21)41/h11-25,33-35,38-43H,3-8H2,1-2H3,(H,30,36)(H,31,37)(H,44,45)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23-,24+,25-,27-/m0/s1
InChI key： DQAOATUOMNYXBA-QJLSMRRYSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](OCCN=[N+]=[N-])[C@@H]3NC(=O)C)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (3)：
  • 1-O-(2-アジドエチル)-N-アセチル-3-O-[3-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコサミン
  • (2S,4S,5R,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S,6R)-2-(2-アジドエトキシ)-3-アセトアミド-5-ヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-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-{[(2R,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1)：
  • 1-O-(2-Azidoethyl)-N-acetyl-3-O-[3-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucosamine
Thsaurus map：
Thesaurus Map

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