Chem
J-GLOBAL ID：200907034551851917   Nikkaji number：J2.529.217K

4-O-[6-O-(N-Acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-2-(acetylamino)6-O-sulfo-2-deoxy-β-D-glucopyranose

4-O-[6-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]-2-(アセチルアミノ)6-O-スルホ-2-デオキシ-β-D-グルコピラノース
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： C25H42N2O22S
Molecular formula furigana： C25-H42-N2-O22-S
Molecular weight： 754.660
InChI： InChI=1S/C25H42N2O22S/c1-7(29)26-13-9(31)3-25(24(39)40,49-21(13)15(33)10(32)4-28)44-5-11-16(34)18(36)19(37)23(47-11)48-20-12(6-45-50(41,42)43)46-22(38)14(17(20)35)27-8(2)30/h9-23,28,31-38H,3-6H2,1-2H3,(H,26,29)(H,27,30)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1
InChI key： PKSDBRRDHFCYJN-LURNZOHQSA-N
SMILES： CC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O3)[C@H](O)[C@H](O)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Systematic name  (3)：
  • 4-O-[6-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]-2-(アセチルアミノ)6-O-スルホ-2-デオキシ-β-D-グルコピラノース
  • (2R,4S,5R,6R)-5-アセトアミド-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-5-アセトアミド-4,6-ジヒドロキシ-2-[(スルホオキシ)メチル]オキサン-3-イル]オキシ}-3,4,5-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,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1)：
  • 4-O-[6-O-(N-Acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-2-(acetylamino)6-O-sulfo-2-deoxy-β-D-glucopyranose
Thsaurus map：
Thesaurus Map

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